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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-13 17:54:52 UTC

Update Date

2021-09-14 15:18:17 UTC

HMDB ID

HMDB0004381

Secondary Accession Numbers

HMDB04381

Metabolite Identification

Common Name

N-Acetylneuraminic acid 9-phosphate

Description

N-Acetylneuraminic acid 9-phosphate is an intermediate in the synthesis of Acetylneuraminic acid, a process occurring in the cytosolic fraction by the human enzyme N-Acetylneuraminic acid 9-phosphate (Neu5Ac 9-P) synthase, that catalyzes the synthesis of N-Acetylneuraminic acid 9-phosphate, in a reaction by the mechanism of aldol condensation of phosphoenolpyruvate (PEP) with sugar substrates, ManNAc-6-P (N-acetylmannosamine 6-phosphate) or Man-6-P (mannose 6-phosphate). N-Acetylneuraminic acid 9-phosphate is converted to N-Acetylneuraminic acid by the enzyme N-acetylneuraminate-9-phosphate phosphatase. (PMID: 16503877 , 6093772 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02231219562D          

 26 26  0  0  1  0            999 V2000
   26.0036  -11.9597    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.7181  -11.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5911  -11.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2891  -12.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1470  -10.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8616  -12.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8780   -9.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7195  -11.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5280   -9.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5760  -10.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4161  -12.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7195  -12.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2905   -8.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2905  -12.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1470  -11.5472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.8616  -11.9597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.4326  -11.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0050  -14.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2905  -10.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5760  -11.5472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.0050  -11.5472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.2905  -11.9597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.0050  -10.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0050  -13.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7030   -9.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0045  -11.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  2  0  0  0  0
  2 17  1  0  0  0  0
 15  5  1  1  0  0  0
 16  6  1  6  0  0  0
  7 19  1  0  0  0  0
 21  8  1  6  0  0  0
  9 25  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 24  2  0  0  0  0
 13 25  2  0  0  0  0
 22 14  1  1  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 26  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END

HMDB0004381
     RDKit          3D
N-Acetylneuraminic acid 9-phosphate
 45 45  0  0  0  0  0  0  0  0999 V2000
   -1.4739   -4.1829   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -2.7401   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4873   -2.5317   -1.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -1.7228    0.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -0.3415    0.3808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8294   -0.0380   -0.5361 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8891   -0.8754   -0.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1696    1.3904   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0156    2.3123   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571    2.6410   -1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4143    3.5700    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    4.6648   -0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    3.5590    1.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865    1.8563    0.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.5518   -0.1205 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8496    0.3618    0.4106 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5230    1.5677   -0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -0.6953   -0.2859 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3255   -1.9979   -0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -0.5377    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.7625    0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050    0.8651    0.7451 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3110    2.2478    1.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514   -0.2444    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    0.6240   -0.5006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -4.2130    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3870   -4.7296    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -4.6289   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -2.0155    1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260    0.0891    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832   -0.1749   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680   -0.8027   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470    1.7798   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.4383    0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565    2.4121   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6951    3.5028    1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.5293   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653    0.3626    1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    1.4851   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7256   -0.4366   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -2.5727   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672   -1.3006   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -0.7149    1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.9181    1.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9279   -0.1584   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 15  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  6
  7 32  1  0
  8 33  1  0
  8 34  1  0
 10 35  1  0
 13 36  1  0
 15 37  1  6
 16 38  1  1
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  0
 20 43  1  0
 24 44  1  0
 25 45  1  0
M  END


  Mrv0541 02231219562D          

 26 26  0  0  1  0            999 V2000
   26.0036  -11.9597    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.7181  -11.5472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5911  -11.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2891  -12.3722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1470  -10.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8616  -12.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8780   -9.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7195  -11.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5280   -9.5952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5760  -10.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4161  -12.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7195  -12.7847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2905   -8.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2905  -12.7847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.1470  -11.5472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.8616  -11.9597    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.4326  -11.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0050  -14.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2905  -10.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5760  -11.5472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.0050  -11.5472    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.2905  -11.9597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.0050  -10.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0050  -13.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7030   -9.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0045  -11.2172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 11  2  0  0  0  0
  2 17  1  0  0  0  0
 15  5  1  1  0  0  0
 16  6  1  6  0  0  0
  7 19  1  0  0  0  0
 21  8  1  6  0  0  0
  9 25  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 24  2  0  0  0  0
 13 25  2  0  0  0  0
 22 14  1  1  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 26  1  1  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0004381

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11?/m0/s1

> <INCHI_KEY>
SQMNIXJSBCSNCI-LUWBGTNYSA-N

> <FORMULA>
C11H20NO12P

> <MOLECULAR_WEIGHT>
389.2498

> <EXACT_MASS>
389.072311621

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
32.62272182691072

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-3.6875035503333335

> <ALOGPS_LOGS>
-1.39

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.990558101442905

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4741477023160616

> <JCHEM_PKA_STRONGEST_BASIC>
-3.10462859121155

> <JCHEM_POLAR_SURFACE_AREA>
223.30999999999997

> <JCHEM_REFRACTIVITY>
74.65429999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.59e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0004381
     RDKit          3D
N-Acetylneuraminic acid 9-phosphate
 45 45  0  0  0  0  0  0  0  0999 V2000
   -1.4739   -4.1829   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -2.7401   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4873   -2.5317   -1.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -1.7228    0.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -0.3415    0.3808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8294   -0.0380   -0.5361 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8891   -0.8754   -0.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1696    1.3904   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0156    2.3123   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571    2.6410   -1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4143    3.5700    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    4.6648   -0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    3.5590    1.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865    1.8563    0.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.5518   -0.1205 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8496    0.3618    0.4106 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5230    1.5677   -0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -0.6953   -0.2859 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3255   -1.9979   -0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -0.5377    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.7625    0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050    0.8651    0.7451 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3110    2.2478    1.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514   -0.2444    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    0.6240   -0.5006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -4.2130    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3870   -4.7296    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -4.6289   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -2.0155    1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260    0.0891    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832   -0.1749   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680   -0.8027   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470    1.7798   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.4383    0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565    2.4121   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6951    3.5028    1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.5293   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653    0.3626    1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    1.4851   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7256   -0.4366   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -2.5727   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672   -1.3006   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -0.7149    1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.9181    1.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9279   -0.1584   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 15  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  6
  7 32  1  0
  8 33  1  0
  8 34  1  0
 10 35  1  0
 13 36  1  0
 15 37  1  6
 16 38  1  1
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  0
 20 43  1  0
 24 44  1  0
 25 45  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  P   UNK     0      48.540 -22.325   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      49.874 -21.555   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      47.770 -20.991   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      47.206 -23.095   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      52.541 -20.015   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      53.875 -23.865   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      55.772 -17.911   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      59.210 -22.325   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      58.852 -17.911   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      55.209 -20.015   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      49.310 -23.659   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      59.210 -23.865   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      56.542 -16.577   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      56.542 -23.865   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      52.541 -21.555   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      53.875 -22.325   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      51.208 -22.325   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      57.876 -26.175   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      56.542 -19.245   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      55.209 -21.555   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      57.876 -21.555   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      56.542 -22.325   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      57.876 -20.015   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      57.876 -24.635   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      57.312 -17.911   0.000  0.00  0.00           C+0
HETATM   26  H   UNK     0      54.142 -20.939   0.000  0.00  0.00           H+0
CONECT    1    2    3    4   11                                             
CONECT    2    1   17                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5   15                                                            
CONECT    6   16                                                            
CONECT    7   19                                                            
CONECT    8   21                                                            
CONECT    9   25                                                            
CONECT   10   19   20                                                       
CONECT   11    1                                                            
CONECT   12   24                                                            
CONECT   13   25                                                            
CONECT   14   22   24                                                       
CONECT   15    5   16   17                                                  
CONECT   16    6   15   20                                                  
CONECT   17    2   15                                                       
CONECT   18   24                                                            
CONECT   19    7   10   23   25                                             
CONECT   20   10   16   22   26                                             
CONECT   21    8   22   23                                                  
CONECT   22   14   20   21                                                  
CONECT   23   19   21                                                       
CONECT   24   12   14   18                                                  
CONECT   25    9   13   19                                                  
CONECT   26   20                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   52    0
END

COMPND    HMDB0004381
HETATM    1  C1  UNL     1      -1.474  -4.183  -0.060  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.807  -2.740  -0.345  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.487  -2.532  -1.366  1.00  0.00           O  
HETATM    4  N1  UNL     1      -1.367  -1.723   0.500  1.00  0.00           N  
HETATM    5  C3  UNL     1      -1.601  -0.342   0.381  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.829  -0.038  -0.536  1.00  0.00           C  
HETATM    7  O2  UNL     1      -3.889  -0.875  -0.160  1.00  0.00           O  
HETATM    8  C5  UNL     1      -3.170   1.390  -0.287  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.016   2.312  -0.312  1.00  0.00           C  
HETATM   10  O3  UNL     1      -1.757   2.641  -1.644  1.00  0.00           O  
HETATM   11  C7  UNL     1      -2.414   3.570   0.372  1.00  0.00           C  
HETATM   12  O4  UNL     1      -2.473   4.665  -0.232  1.00  0.00           O  
HETATM   13  O5  UNL     1      -2.735   3.559   1.719  1.00  0.00           O  
HETATM   14  O6  UNL     1      -0.887   1.856   0.345  1.00  0.00           O  
HETATM   15  C8  UNL     1      -0.540   0.552  -0.121  1.00  0.00           C  
HETATM   16  C9  UNL     1       0.850   0.362   0.411  1.00  0.00           C  
HETATM   17  O7  UNL     1       1.523   1.568  -0.060  1.00  0.00           O  
HETATM   18  C10 UNL     1       1.670  -0.695  -0.286  1.00  0.00           C  
HETATM   19  O8  UNL     1       1.325  -1.998  -0.060  1.00  0.00           O  
HETATM   20  C11 UNL     1       3.091  -0.538   0.281  1.00  0.00           C  
HETATM   21  O9  UNL     1       3.548   0.762   0.104  1.00  0.00           O  
HETATM   22  P1  UNL     1       5.105   0.865   0.745  1.00  0.00           P  
HETATM   23  O10 UNL     1       5.311   2.248   1.336  1.00  0.00           O  
HETATM   24  O11 UNL     1       5.351  -0.244   1.995  1.00  0.00           O  
HETATM   25  O12 UNL     1       6.209   0.624  -0.501  1.00  0.00           O  
HETATM   26  H1  UNL     1      -0.801  -4.213   0.828  1.00  0.00           H  
HETATM   27  H2  UNL     1      -2.387  -4.730   0.229  1.00  0.00           H  
HETATM   28  H3  UNL     1      -0.919  -4.629  -0.894  1.00  0.00           H  
HETATM   29  H4  UNL     1      -0.808  -2.015   1.375  1.00  0.00           H  
HETATM   30  H5  UNL     1      -2.026   0.089   1.364  1.00  0.00           H  
HETATM   31  H6  UNL     1      -2.483  -0.175  -1.561  1.00  0.00           H  
HETATM   32  H7  UNL     1      -4.568  -0.803  -0.876  1.00  0.00           H  
HETATM   33  H8  UNL     1      -3.947   1.780  -0.984  1.00  0.00           H  
HETATM   34  H9  UNL     1      -3.590   1.438   0.765  1.00  0.00           H  
HETATM   35  H10 UNL     1      -0.857   2.412  -1.940  1.00  0.00           H  
HETATM   36  H11 UNL     1      -3.695   3.503   1.987  1.00  0.00           H  
HETATM   37  H12 UNL     1      -0.534   0.529  -1.224  1.00  0.00           H  
HETATM   38  H13 UNL     1       0.865   0.363   1.482  1.00  0.00           H  
HETATM   39  H14 UNL     1       1.414   1.485  -1.050  1.00  0.00           H  
HETATM   40  H15 UNL     1       1.726  -0.437  -1.370  1.00  0.00           H  
HETATM   41  H16 UNL     1       1.355  -2.573  -0.864  1.00  0.00           H  
HETATM   42  H17 UNL     1       3.767  -1.301  -0.143  1.00  0.00           H  
HETATM   43  H18 UNL     1       2.994  -0.715   1.372  1.00  0.00           H  
HETATM   44  H19 UNL     1       6.029  -0.918   1.756  1.00  0.00           H  
HETATM   45  H20 UNL     1       5.928  -0.158  -1.038  1.00  0.00           H  
CONECT    1    2   26   27   28
CONECT    2    3    3    4
CONECT    4    5   29
CONECT    5    6   15   30
CONECT    6    7    8   31
CONECT    7   32
CONECT    8    9   33   34
CONECT    9   10   11   14
CONECT   10   35
CONECT   11   12   12   13
CONECT   13   36
CONECT   14   15
CONECT   15   16   37
CONECT   16   17   18   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   42   43
CONECT   21   22
CONECT   22   23   23   24   25
CONECT   24   44
CONECT   25   45
END

HMDB0004381
     RDKit          3D
N-Acetylneuraminic acid 9-phosphate
 45 45  0  0  0  0  0  0  0  0999 V2000
   -1.4739   -4.1829   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -2.7401   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4873   -2.5317   -1.3655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -1.7228    0.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6013   -0.3415    0.3808 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8294   -0.0380   -0.5361 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8891   -0.8754   -0.1596 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1696    1.3904   -0.2873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0156    2.3123   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571    2.6410   -1.6437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4143    3.5700    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734    4.6648   -0.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7355    3.5590    1.7190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8865    1.8563    0.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5404    0.5518   -0.1205 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8496    0.3618    0.4106 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5230    1.5677   -0.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6696   -0.6953   -0.2859 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3255   -1.9979   -0.0602 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914   -0.5377    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    0.7625    0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050    0.8651    0.7451 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.3110    2.2478    1.3358 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3514   -0.2444    1.9955 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    0.6240   -0.5006 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -4.2130    0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3870   -4.7296    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9188   -4.6289   -0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -2.0155    1.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0260    0.0891    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4832   -0.1749   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5680   -0.8027   -0.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9470    1.7798   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5896    1.4383    0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8565    2.4121   -1.9398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6951    3.5028    1.9866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5337    0.5293   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8653    0.3626    1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4145    1.4851   -1.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7256   -0.4366   -1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -2.5727   -0.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7672   -1.3006   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9935   -0.7149    1.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0290   -0.9181    1.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9279   -0.1584   -1.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 22 25  1  0
 15  5  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  5 30  1  1
  6 31  1  6
  7 32  1  0
  8 33  1  0
  8 34  1  0
 10 35  1  0
 13 36  1  0
 15 37  1  6
 16 38  1  1
 17 39  1  0
 18 40  1  6
 19 41  1  0
 20 42  1  0
 20 43  1  0
 24 44  1  0
 25 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-Acetylneuraminate 9-phosphate	ChEBI
N-Acetylneuraminic acid 9-phosphoric acid	Generator
5-(acetylamino)-3,5-Dideoxy-D-glycero-D-galacto-2-nonulosonic acid 9-(dihydrogen phosphate)	HMDB
N-Acetyl- 9-(dihydrogen phosphate)-neuraminic acid	HMDB
N-Acetyl-neuraminic acid-9-phosphate	HMDB

Chemical Formula

C₁₁H₂₀NO₁₂P

Average Molecular Weight

389.2498

Monoisotopic Molecular Weight

389.072311621

IUPAC Name

(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

Traditional Name

(4S,5R,6R)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid

CAS Registry Number

37992-17-9

SMILES

[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O

InChI Identifier

InChI=1S/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)/t5-,6+,7+,8+,9+,11?/m0/s1

InChI Key

SQMNIXJSBCSNCI-LUWBGTNYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acylneuraminate-9-phosphates. These are neuraminic acids carrying an N-acyl substituent, as well as a phosphate group at the O9-position.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acylneuraminate-9-phosphates

Alternative Parents

Substituents

N-acylneuraminate-9-phosphate
Neuraminic acid
C-glucuronide
C-glycosyl compound
Glycosyl compound
Monoalkyl phosphate
Alpha-hydroxy acid
Organic phosphoric acid derivative
Hydroxy acid
Oxane
Phosphoric acid ester
Alkyl phosphate
Pyran
Acetamide
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Hemiacetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Organonitrogen compound
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

amino sugar phosphate (CHEBI:27438 )

Ontology

Not Available

Endogenous (HMDB: HMDB0004381)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-4.235	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	15.9 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-3.7	ChemAxon
logS	-1.4	ALOGPS
pKa (Strongest Acidic)	1.47	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.31 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	74.65 m³·mol⁻¹	ChemAxon
Polarizability	32.62 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	192.759	31661259
DarkChem	[M-H]-	184.659	31661259
DeepCCS	[M+H]+	175.979	30932474
DeepCCS	[M-H]-	173.583	30932474
DeepCCS	[M-2H]-	206.466	30932474
DeepCCS	[M+Na]+	181.891	30932474
AllCCS	[M+H]+	183.8	32859911
AllCCS	[M+H-H2O]+	181.1	32859911
AllCCS	[M+NH4]+	186.2	32859911
AllCCS	[M+Na]+	186.9	32859911
AllCCS	[M-H]-	178.9	32859911
AllCCS	[M+Na-2H]-	178.9	32859911
AllCCS	[M+HCOO]-	179.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylneuraminic acid 9-phosphate	[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O	3972.0	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate	[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O	2565.5	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate	[H][C@]1(OC(O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)COP(O)(O)=O	3339.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2949.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2917.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2890.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2931.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2941.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	3006.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2955.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2855.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2894.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2884.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2842.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2823.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2882.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2829.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2864.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2926.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2880.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2923.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2824.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2871.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2970.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2953.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2876.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2895.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2965.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2900.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2776.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2843.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2840.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	2752.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2860.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2914.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2858.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2908.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2847.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2932.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2899.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2815.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2782.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2817.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2827.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2791.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2815.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #22	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2869.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2848.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2837.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2826.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2858.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2872.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #28	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2832.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #29	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2894.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2819.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2817.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #31	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2855.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2793.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2897.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2848.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2889.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2839.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #37	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2959.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2897.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2923.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2845.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #40	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2874.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2893.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2844.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2819.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2811.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2848.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2800.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	2828.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2913.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2882.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2844.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2904.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2830.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2890.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2828.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2932.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2859.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2918.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2816.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2860.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2979.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2909.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #23	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2967.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #24	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2893.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2923.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2832.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2902.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2836.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #29	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2872.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2841.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2818.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #31	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2901.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2858.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2870.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2839.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2934.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2891.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #37	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2907.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2869.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2897.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2818.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #40	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2905.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2825.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #42	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2973.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #43	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2888.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #44	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2937.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #45	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2863.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #46	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2898.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #47	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2955.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #48	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2884.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #49	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2933.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2853.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #50	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2903.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2900.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2869.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2883.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2860.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	2850.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2964.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2927.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2940.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2916.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2927.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2916.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2859.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2966.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2903.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2952.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	2910.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2900.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2925.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #22	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2974.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2923.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #24	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2962.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2945.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2910.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2858.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #28	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2954.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2908.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C	2861.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2918.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2888.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2918.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2924.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2899.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #35	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2933.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2913.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #37	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2962.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2899.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2948.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2890.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #40	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2920.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2934.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2857.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2903.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2884.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2914.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,5TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2889.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2911.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2934.4	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3721.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2968.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2911.5	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3596.0	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2955.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2923.2	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3618.6	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2943.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2961.7	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3600.3	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2924.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2986.3	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3722.1	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2943.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2976.3	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3559.4	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2937.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2991.9	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3582.4	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2965.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2974.1	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3615.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2928.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2887.6	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3498.1	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2925.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2894.9	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3646.2	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2940.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2881.0	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3488.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2903.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	2945.9	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C)[Si](C)(C)C	3827.1	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2923.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2892.2	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3507.5	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2948.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2878.7	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3596.3	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2940.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2937.5	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3538.0	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2936.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2921.6	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3551.4	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2925.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	2934.0	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C)[Si](C)(C)C	3659.4	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2914.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2946.3	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3547.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2919.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2944.6	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3687.2	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2935.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2929.3	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3567.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2952.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2909.8	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3601.2	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2946.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2923.2	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3761.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2953.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2973.9	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	3455.1	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2968.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2976.8	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3526.6	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2970.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2963.3	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3388.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2964.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2971.5	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3411.1	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3004.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2955.0	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3465.8	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2966.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3008.2	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3432.2	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2966.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2928.9	Standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,7TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3370.6	Standard polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3165.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3103.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3130.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3139.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3145.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3240.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,1TBDMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3141.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3251.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3311.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3262.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3266.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3256.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #14	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3348.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #15	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3242.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #16	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3272.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3350.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3272.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3338.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3277.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3255.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3407.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3342.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3288.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3299.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3387.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #6	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3278.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3231.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3254.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,2TBDMS,isomer #9	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3240.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O	3436.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3472.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #11	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3536.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #12	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3467.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3542.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3455.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3595.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3505.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3458.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #18	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3438.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3498.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3458.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3436.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3444.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #22	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3505.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #23	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3465.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #24	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3487.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3440.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #26	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3525.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #27	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3484.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #28	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3456.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #29	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3541.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3453.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3448.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #31	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3518.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3423.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #33	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3579.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3482.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3516.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3449.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #37	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3587.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3500.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #39	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3560.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3495.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #40	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3475.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3530.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #5	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3457.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3457.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3460.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3527.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,3TBDMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3443.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O	3662.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3732.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #11	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3693.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #12	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3663.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3729.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #14	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3665.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #15	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3731.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #16	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3658.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3764.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #18	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3681.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #19	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3733.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3654.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #20	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3668.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3778.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3713.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #23	CC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3783.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #24	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3698.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #25	CC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3733.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #26	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3659.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #27	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3735.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #28	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3680.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #29	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3716.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3698.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #30	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3654.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #31	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3747.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #32	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3685.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #33	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3693.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #34	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3657.7	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #35	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3734.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #36	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3710.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #37	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3714.0	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #38	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3678.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #39	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3708.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #4	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3659.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #40	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3732.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #41	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3653.6	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #42	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3797.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #43	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3701.3	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #44	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3769.5	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #45	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3680.8	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #46	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3721.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #47	CC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3760.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #48	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3690.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #49	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3738.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3669.4	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #50	CC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3709.9	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3721.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #7	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)COP(=O)(O)O)[Si](C)(C)C(C)(C)C	3690.1	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3712.2	Semi standard non polar	33892256
N-Acetylneuraminic acid 9-phosphate,4TBDMS,isomer #9	CC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3675.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminic acid 9-phosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-006x-9865000000-ea42a1918e170bac9d1c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminic acid 9-phosphate GC-MS (4 TMS) - 70eV, Positive	splash10-03di-3811119000-2bddb7ead2e38a7d54bc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminic acid 9-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminic acid 9-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminic acid 9-phosphate GC-MS (TBDMS_4_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-Acetylneuraminic acid 9-phosphate GC-MS ("N-Acetylneuraminic acid 9-phosphate,4TBDMS,#20" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 10V, Positive-QTOF	splash10-00dl-1139000000-31a61c834ec1e7590647	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 20V, Positive-QTOF	splash10-00dm-6798000000-0e71876811a2de198680	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 40V, Positive-QTOF	splash10-01ow-9370000000-8520f146007338380dde	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 10V, Negative-QTOF	splash10-0umj-4494000000-651a0b7cbf5a8bf286f6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 20V, Negative-QTOF	splash10-004r-9000000000-abb61d928b00d92157c7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-9e6e329e3f59fa84a900	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 10V, Negative-QTOF	splash10-0079-4009000000-416f62d688ca6890bcbc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 20V, Negative-QTOF	splash10-004i-9010000000-b9d33d49f34714b29ed1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-91afd217638adb8dd69a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 10V, Positive-QTOF	splash10-00dl-0069000000-a644d0e6cfb07a9db310	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 20V, Positive-QTOF	splash10-0007-4197000000-f28ef28b4c9147a10830	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-Acetylneuraminic acid 9-phosphate 40V, Positive-QTOF	splash10-000x-9310000000-12f94537e5890a9069bf	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023369

KNApSAcK ID

Not Available

Chemspider ID

389789

KEGG Compound ID

C06241

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440962

PDB ID

Not Available

ChEBI ID

27438

Food Biomarker Ontology

Not Available

VMH ID

ACNAMP

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Hao J, Vann WF, Hinderlich S, Sundaramoorthy M: Elimination of 2-keto-3-deoxy-D-glycero-D-galacto-nonulosonic acid 9-phosphate synthase activity from human N-acetylneuraminic acid 9-phosphate synthase by a single mutation. Biochem J. 2006 Jul 1;397(1):195-201. [PubMed:16503877 ]
Van Rinsum J, Van Dijk W, Hooghwinkel GJ, Ferwerda W: Subcellular localization and tissue distribution of sialic acid-forming enzymes. N-acetylneuraminate-9-phosphate synthase and N-acetylneuraminate 9-phosphatase. Biochem J. 1984 Oct 15;223(2):323-8. [PubMed:6093772 ]

Enzymes

Enzyme Details

1. Sialic acid synthase

General function:: Involved in catalytic activity
Specific function:: Produces N-acetylneuraminic acid (Neu5Ac) and 2-keto-3-deoxy-D-glycero-D-galacto-nononic acid (KDN). Can also use N-acetylmannosamine 6-phosphate and mannose 6-phosphate as substrates to generate phosphorylated forms of Neu5Ac and KDN, respectively.
Gene Name:: NANS
Uniprot ID:: Q9NR45
Molecular weight:: 40307.26

Reactions

N-Acetylneuraminic acid 9-phosphate + Phosphate → N-Acetyl-D-mannosamine 6-phosphate + Phosphoenolpyruvic acid + Water	details

Enzyme Details

2. N-acylneuraminate-9-phosphatase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: NANP
Uniprot ID:: Q8TBE9
Molecular weight:: 27812.875

Reactions

N-Acetylneuraminic acid 9-phosphate + Water → N-Acetylneuraminic acid + Phosphate	details

Showing metabocard for N-Acetylneuraminic acid 9-phosphate (HMDB0004381)

MOL for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

3D MOL for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

3D SDF for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

3D-SDF for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

PDB for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

3D PDB for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

SMILES for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

INCHI for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

Structure for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

3D Structure for HMDB0004381 (N-Acetylneuraminic acid 9-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions