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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 08:09:27 UTC

Update Date

2021-09-24 08:09:28 UTC

HMDB ID

HMDB0304224

Secondary Accession Numbers

None

Metabolite Identification

Common Name

6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol

Description

6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol is soluble (in water) and a moderately acidic compound (based on its pKa). 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol can be found in a number of food items such as japanese chestnut, european plum, yellow pond-lily, and turnip, which makes 6-(alpha-d-glucosaminyl)-1-phosphatidyl-1d-myo-inositol a potential biomarker for the consumption of these food products.

Structure

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


  Mrv1533007131514102D          

 48 49  0  0  1  0            999 V2000
   -2.8066    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5559    3.8230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9816    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3316    4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.5691    2.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 33 17  1  0  0  0  0
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 13 44  1  1  0  0  0
 14 45  1  1  0  0  0
 15 46  1  6  0  0  0
 16 47  1  1  0  0  0
 17 48  1  6  0  0  0
M  END

HMDB0304224
     RDKit          3D
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
 66 67  0  0  0  0  0  0  0  0999 V2000
    0.0041   -2.3510    1.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -1.1466    1.2358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3006   -0.6177   -0.0577 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533007131514102D          

 48 49  0  0  1  0            999 V2000
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    3.3809    3.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9684    3.1086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    5.2520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    5.9664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    4.5375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941    0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    0.2507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    3.1086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1566    1.6796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    2.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    3.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  6  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
  8 18  1  1  0  0  0
 19  1  1  0  0  0  0
 20  4  2  0  0  0  0
 21  5  2  0  0  0  0
  9 22  1  1  0  0  0
 10 23  1  1  0  0  0
 11 24  1  1  0  0  0
 12 25  1  6  0  0  0
 13 26  1  6  0  0  0
 14 27  1  1  0  0  0
 30  2  1  0  0  0  0
 30  4  1  0  0  0  0
 31  5  1  0  0  0  0
  6 31  1  1  0  0  0
 32  3  1  0  0  0  0
 33  7  1  0  0  0  0
 33 17  1  0  0  0  0
 15 34  1  1  0  0  0
 17 34  1  1  0  0  0
 16 35  1  6  0  0  0
 36 28  1  0  0  0  0
 36 29  2  0  0  0  0
 36 32  1  0  0  0  0
 36 35  1  0  0  0  0
  6 37  1  1  0  0  0
  7 38  1  1  0  0  0
  8 39  1  6  0  0  0
  9 40  1  6  0  0  0
 10 41  1  1  0  0  0
 11 42  1  6  0  0  0
 12 43  1  1  0  0  0
 13 44  1  1  0  0  0
 14 45  1  1  0  0  0
 15 46  1  6  0  0  0
 16 47  1  1  0  0  0
 17 48  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0304224

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](COC=O)(COP(O)(=O)O[C@]1([H])[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N)OC=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H30NO17P/c18-8-10(23)9(22)7(1-19)33-17(8)34-15-13(26)11(24)12(25)14(27)16(15)35-36(28,29)32-3-6(31-5-21)2-30-4-20/h4-17,19,22-27H,1-3,18H2,(H,28,29)/t6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-/m1/s1

> <INCHI_KEY>
KMXDCNYDSLACTP-SQVFPUTGSA-N

> <FORMULA>
C17H30NO17P

> <MOLECULAR_WEIGHT>
551.391

> <EXACT_MASS>
551.125135508

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
66

> <JCHEM_AVERAGE_POLARIZABILITY>
47.245063033909446

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinic acid

> <ALOGPS_LOGP>
-2.34

> <JCHEM_LOGP>
-6.9510335518513635

> <ALOGPS_LOGS>
-1.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.324404698892156

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8331467472522682

> <JCHEM_PKA_STRONGEST_BASIC>
8.12573352277537

> <JCHEM_POLAR_SURFACE_AREA>
294.45000000000005

> <JCHEM_REFRACTIVITY>
106.77779999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.90e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy(2R)-2,3-bis(formyloxy)propoxyphosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0304224
     RDKit          3D
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
 66 67  0  0  0  0  0  0  0  0999 V2000
    0.0041   -2.3510    1.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -1.1466    1.2358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3006   -0.6177   -0.0577 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4032    0.1169   -0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8324    1.3798   -1.1146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9889    1.6596   -2.5957 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0136    0.9129   -3.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    3.1381   -2.7980 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0322    3.6789   -3.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413    3.9123   -1.5796 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8438    3.6573   -1.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143    3.7582   -0.4629 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2045    3.8549    0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    2.3870   -0.6093 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8609    2.0447    0.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    2.2738    0.2504 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9361    3.4033    1.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.8485   -1.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    0.9431    0.6379 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019   -0.2539    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770   -1.4326    0.5898 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1105   -1.3851    2.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704   -2.3889    2.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346   -2.5432    3.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624   -1.7477    4.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6510    0.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -3.4915   -0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9305   -3.1827   -1.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -1.7217   -0.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7371   -2.4103   -0.2668 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8336   -2.4246   -1.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9524   -3.1201   -0.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911   -1.8388    1.0282 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0581   -2.7481    1.6841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -1.6033    2.0017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4188   -0.6752    2.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -2.3240    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080   -3.2224    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -0.4507    1.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1898    0.0237    0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8269    1.6209   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501    1.3269   -3.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7671    1.5492   -3.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9989    3.3219   -3.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    4.6686   -3.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5463    4.9999   -1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418    4.1426   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    4.5656   -0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    3.6297    1.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094    2.5532   -1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    2.1521   -1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543   -0.3919    0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6087   -0.2945   -0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7543   -1.3079    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3986    2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169   -1.4633    2.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2602   -3.2824    3.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3608   -4.4095   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -3.4747   -0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1007   -1.4120   -1.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5267   -2.9994   -2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6235   -3.2179   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8168   -0.9164    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835   -2.4582    1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733   -2.5601    2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511   -0.2057    2.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 21 26  1  0
 26 27  1  0
 27 28  2  0
  3 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35  2  1  0
 14  5  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  1
  3 40  1  1
  5 41  1  1
  6 42  1  6
  7 43  1  0
  8 44  1  6
  9 45  1  0
 10 46  1  6
 11 47  1  0
 12 48  1  1
 13 49  1  0
 14 50  1  6
 18 51  1  0
 20 52  1  0
 20 53  1  0
 21 54  1  6
 22 55  1  0
 22 56  1  0
 24 57  1  0
 27 58  1  0
 30 59  1  1
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  6
 34 64  1  0
 35 65  1  1
 36 66  1  0
M  END

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0      -5.239   8.470   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.311   7.136   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   5.803   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.621   8.470   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.461   8.470   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.771   7.136   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.699   8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.619   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.929   9.804   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.389   9.804   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.699   3.135   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.929   1.802   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.929   4.469   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.389   1.802   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.389   4.469   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.619   3.135   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.389   7.136   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0       0.921   8.470   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0      -6.009   9.804   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       9.391   9.804   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.691   9.804   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -3.699  11.137   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -0.619  11.137   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.239   3.135   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -3.699   0.468   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -3.699   5.803   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -0.619   0.468   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       3.025   3.699   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.357   5.239   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       7.081   8.470   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.461   5.803   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.929   7.136   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.619   5.803   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.921   3.135   0.000  0.00  0.00           O+0
HETATM   36  P   UNK     0       1.691   4.469   0.000  0.00  0.00           P+0
HETATM   37  H   UNK     0       5.541   5.803   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      -4.469   9.804   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.151   9.804   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0      -2.159  11.137   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      -2.159   8.470   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0      -4.469   1.802   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0      -2.159   0.468   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0      -2.159   5.803   0.000  0.00  0.00           H+0
HETATM   45  H   UNK     0      -2.159   3.135   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.151   4.469   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.151   1.802   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.151   7.136   0.000  0.00  0.00           H+0
CONECT    1    7   19                                                       
CONECT    2    6   30                                                       
CONECT    3    6   32                                                       
CONECT    4   20   30                                                       
CONECT    5   21   31                                                       
CONECT    6    2    3   31   37                                             
CONECT    7    1    9   33   38                                             
CONECT    8   10   17   18   39                                             
CONECT    9    7   10   22   40                                             
CONECT   10    8    9   23   41                                             
CONECT   11   12   13   24   42                                             
CONECT   12   11   14   25   43                                             
CONECT   13   11   15   26   44                                             
CONECT   14   12   16   27   45                                             
CONECT   15   13   16   34   46                                             
CONECT   16   14   15   35   47                                             
CONECT   17    8   33   34   48                                             
CONECT   18    8                                                            
CONECT   19    1                                                            
CONECT   20    4                                                            
CONECT   21    5                                                            
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   13                                                            
CONECT   27   14                                                            
CONECT   28   36                                                            
CONECT   29   36                                                            
CONECT   30    2    4                                                       
CONECT   31    5    6                                                       
CONECT   32    3   36                                                       
CONECT   33    7   17                                                       
CONECT   34   15   17                                                       
CONECT   35   16   36                                                       
CONECT   36   28   29   32   35                                             
CONECT   37    6                                                            
CONECT   38    7                                                            
CONECT   39    8                                                            
CONECT   40    9                                                            
CONECT   41   10                                                            
CONECT   42   11                                                            
CONECT   43   12                                                            
CONECT   44   13                                                            
CONECT   45   14                                                            
CONECT   46   15                                                            
CONECT   47   16                                                            
CONECT   48   17                                                            
MASTER        0    0    0    0    0    0    0    0   48    0   98    0
END

COMPND    HMDB0304224
HETATM    1  N1  UNL     1       0.004  -2.351   1.082  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.796  -1.147   1.236  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.301  -0.618  -0.058  1.00  0.00           C  
HETATM    4  O1  UNL     1      -0.403   0.117  -0.814  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.832   1.380  -1.115  1.00  0.00           C  
HETATM    6  C4  UNL     1      -0.989   1.660  -2.596  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.014   0.913  -3.164  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.170   3.138  -2.798  1.00  0.00           C  
HETATM    9  O3  UNL     1       0.032   3.679  -3.287  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.541   3.912  -1.580  1.00  0.00           C  
HETATM   11  O4  UNL     1      -2.844   3.657  -1.128  1.00  0.00           O  
HETATM   12  C7  UNL     1      -0.514   3.758  -0.463  1.00  0.00           C  
HETATM   13  O5  UNL     1      -1.204   3.855   0.741  1.00  0.00           O  
HETATM   14  C8  UNL     1       0.159   2.387  -0.609  1.00  0.00           C  
HETATM   15  O6  UNL     1       0.861   2.045   0.511  1.00  0.00           O  
HETATM   16  P1  UNL     1       2.520   2.274   0.250  1.00  0.00           P  
HETATM   17  O7  UNL     1       2.936   3.403   1.199  1.00  0.00           O  
HETATM   18  O8  UNL     1       2.819   2.849  -1.310  1.00  0.00           O  
HETATM   19  O9  UNL     1       3.435   0.943   0.638  1.00  0.00           O  
HETATM   20  C9  UNL     1       2.902  -0.254   0.219  1.00  0.00           C  
HETATM   21  C10 UNL     1       3.777  -1.433   0.590  1.00  0.00           C  
HETATM   22  C11 UNL     1       4.111  -1.385   2.055  1.00  0.00           C  
HETATM   23  O10 UNL     1       5.070  -2.389   2.373  1.00  0.00           O  
HETATM   24  C12 UNL     1       5.535  -2.543   3.664  1.00  0.00           C  
HETATM   25  O11 UNL     1       5.062  -1.748   4.541  1.00  0.00           O  
HETATM   26  O12 UNL     1       3.241  -2.651   0.169  1.00  0.00           O  
HETATM   27  C13 UNL     1       3.837  -3.491  -0.742  1.00  0.00           C  
HETATM   28  O13 UNL     1       4.930  -3.183  -1.252  1.00  0.00           O  
HETATM   29  O14 UNL     1      -1.675  -1.722  -0.819  1.00  0.00           O  
HETATM   30  C14 UNL     1      -2.737  -2.410  -0.267  1.00  0.00           C  
HETATM   31  C15 UNL     1      -3.834  -2.425  -1.317  1.00  0.00           C  
HETATM   32  O15 UNL     1      -4.952  -3.120  -0.801  1.00  0.00           O  
HETATM   33  C16 UNL     1      -3.191  -1.839   1.028  1.00  0.00           C  
HETATM   34  O16 UNL     1      -4.058  -2.748   1.684  1.00  0.00           O  
HETATM   35  C17 UNL     1      -2.053  -1.603   2.002  1.00  0.00           C  
HETATM   36  O17 UNL     1      -2.419  -0.675   2.957  1.00  0.00           O  
HETATM   37  H1  UNL     1       0.839  -2.324   1.739  1.00  0.00           H  
HETATM   38  H2  UNL     1      -0.508  -3.222   1.326  1.00  0.00           H  
HETATM   39  H3  UNL     1      -0.270  -0.451   1.883  1.00  0.00           H  
HETATM   40  H4  UNL     1      -2.190   0.024   0.141  1.00  0.00           H  
HETATM   41  H5  UNL     1      -1.827   1.621  -0.671  1.00  0.00           H  
HETATM   42  H6  UNL     1      -0.050   1.327  -3.095  1.00  0.00           H  
HETATM   43  H7  UNL     1      -2.767   1.549  -3.330  1.00  0.00           H  
HETATM   44  H8  UNL     1      -1.999   3.322  -3.546  1.00  0.00           H  
HETATM   45  H9  UNL     1      -0.143   4.669  -3.368  1.00  0.00           H  
HETATM   46  H10 UNL     1      -1.546   5.000  -1.847  1.00  0.00           H  
HETATM   47  H11 UNL     1      -2.942   4.143  -0.283  1.00  0.00           H  
HETATM   48  H12 UNL     1       0.220   4.566  -0.570  1.00  0.00           H  
HETATM   49  H13 UNL     1      -0.599   3.630   1.475  1.00  0.00           H  
HETATM   50  H14 UNL     1       0.909   2.553  -1.442  1.00  0.00           H  
HETATM   51  H15 UNL     1       3.027   2.152  -1.955  1.00  0.00           H  
HETATM   52  H16 UNL     1       1.954  -0.392   0.819  1.00  0.00           H  
HETATM   53  H17 UNL     1       2.609  -0.294  -0.833  1.00  0.00           H  
HETATM   54  H18 UNL     1       4.754  -1.308   0.041  1.00  0.00           H  
HETATM   55  H19 UNL     1       4.598  -0.399   2.243  1.00  0.00           H  
HETATM   56  H20 UNL     1       3.217  -1.463   2.692  1.00  0.00           H  
HETATM   57  H21 UNL     1       6.260  -3.282   3.974  1.00  0.00           H  
HETATM   58  H22 UNL     1       3.361  -4.410  -1.013  1.00  0.00           H  
HETATM   59  H23 UNL     1      -2.436  -3.475  -0.079  1.00  0.00           H  
HETATM   60  H24 UNL     1      -4.101  -1.412  -1.653  1.00  0.00           H  
HETATM   61  H25 UNL     1      -3.527  -2.999  -2.215  1.00  0.00           H  
HETATM   62  H26 UNL     1      -5.623  -3.218  -1.525  1.00  0.00           H  
HETATM   63  H27 UNL     1      -3.817  -0.916   0.884  1.00  0.00           H  
HETATM   64  H28 UNL     1      -4.983  -2.458   1.684  1.00  0.00           H  
HETATM   65  H29 UNL     1      -1.873  -2.560   2.531  1.00  0.00           H  
HETATM   66  H30 UNL     1      -3.251  -0.206   2.680  1.00  0.00           H  
CONECT    1    2   37   38
CONECT    2    3   35   39
CONECT    3    4   29   40
CONECT    4    5
CONECT    5    6   14   41
CONECT    6    7    8   42
CONECT    7   43
CONECT    8    9   10   44
CONECT    9   45
CONECT   10   11   12   46
CONECT   11   47
CONECT   12   13   14   48
CONECT   13   49
CONECT   14   15   50
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   51
CONECT   19   20
CONECT   20   21   52   53
CONECT   21   22   26   54
CONECT   22   23   55   56
CONECT   23   24
CONECT   24   25   25   57
CONECT   26   27
CONECT   27   28   28   58
CONECT   29   30
CONECT   30   31   33   59
CONECT   31   32   60   61
CONECT   32   62
CONECT   33   34   35   63
CONECT   34   64
CONECT   35   36   65
CONECT   36   66
END

HMDB0304224
     RDKit          3D
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol
 66 67  0  0  0  0  0  0  0  0999 V2000
    0.0041   -2.3510    1.0823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -1.1466    1.2358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3006   -0.6177   -0.0577 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4032    0.1169   -0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8324    1.3798   -1.1146 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9889    1.6596   -2.5957 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0136    0.9129   -3.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1703    3.1381   -2.7980 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0322    3.6789   -3.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5413    3.9123   -1.5796 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8438    3.6573   -1.1284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143    3.7582   -0.4629 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2045    3.8549    0.7408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    2.3870   -0.6093 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8609    2.0447    0.5113 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    2.2738    0.2504 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.9361    3.4033    1.1990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8192    2.8485   -1.3104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    0.9431    0.6379 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9019   -0.2539    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7770   -1.4326    0.5898 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1105   -1.3851    2.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704   -2.3889    2.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5346   -2.5432    3.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624   -1.7477    4.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -2.6510    0.1692 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368   -3.4915   -0.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9305   -3.1827   -1.2523 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6748   -1.7217   -0.8191 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7371   -2.4103   -0.2668 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8336   -2.4246   -1.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9524   -3.1201   -0.8010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1911   -1.8388    1.0282 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0581   -2.7481    1.6841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -1.6033    2.0017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4188   -0.6752    2.9570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -2.3240    1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5080   -3.2224    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -0.4507    1.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1898    0.0237    0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8269    1.6209   -0.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0501    1.3269   -3.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7671    1.5492   -3.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9989    3.3219   -3.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1429    4.6686   -3.3681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5463    4.9999   -1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418    4.1426   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    4.5656   -0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5985    3.6297    1.4747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9094    2.5532   -1.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0271    2.1521   -1.9548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543   -0.3919    0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6087   -0.2945   -0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7543   -1.3079    0.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3986    2.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2169   -1.4633    2.6923 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2602   -3.2824    3.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3608   -4.4095   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4360   -3.4747   -0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1007   -1.4120   -1.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5267   -2.9994   -2.2147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6235   -3.2179   -1.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8168   -0.9164    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835   -2.4582    1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733   -2.5601    2.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511   -0.2057    2.6801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 21 26  1  0
 26 27  1  0
 27 28  2  0
  3 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35  2  1  0
 14  5  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  1
  3 40  1  1
  5 41  1  1
  6 42  1  6
  7 43  1  0
  8 44  1  6
  9 45  1  0
 10 46  1  6
 11 47  1  0
 12 48  1  1
 13 49  1  0
 14 50  1  6
 18 51  1  0
 20 52  1  0
 20 53  1  0
 21 54  1  6
 22 55  1  0
 22 56  1  0
 24 57  1  0
 27 58  1  0
 30 59  1  1
 31 60  1  0
 31 61  1  0
 32 62  1  0
 33 63  1  6
 34 64  1  0
 35 65  1  1
 36 66  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinate	Generator

Chemical Formula

C₁₇H₃₀NO₁₇P

Average Molecular Weight

551.391

Monoisotopic Molecular Weight

551.125135508

IUPAC Name

{[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(formyloxy)propoxy]phosphinic acid

Traditional Name

[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy(2R)-2,3-bis(formyloxy)propoxyphosphinic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](COC=O)(COP(O)(=O)O[C@]1([H])[C@]([H])(O)[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O[C@@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])N)OC=O

InChI Identifier

InChI=1S/C17H30NO17P/c18-8-10(23)9(22)7(1-19)33-17(8)34-15-13(26)11(24)12(25)14(27)16(15)35-36(28,29)32-3-6(31-5-21)2-30-4-20/h4-17,19,22-27H,1-3,18H2,(H,28,29)/t6-,7-,8-,9-,10-,11-,12-,13+,14-,15-,16-,17-/m1/s1

InChI Key

KMXDCNYDSLACTP-SQVFPUTGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-phosphatidyl-1d-myo-inositols. These are lipids containing a myo-inositol attached to the phosphate group of a glycerol-3-phosphate moiety, and two acyl chains linked to the glycerol at the O1- and O2- positions, through ester linkages.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositols

Direct Parent

1-phosphatidyl-1D-myo-inositols

Alternative Parents

Substituents

1-phosphatidyl-1d-myo-inositol
Aminoglycoside core
Amino cyclitol glycoside
Inositol phosphate
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Monosaccharide phosphate
Cyclohexanol
Amino saccharide
Dialkyl phosphate
Alkyl phosphate
Cyclitol or derivatives
Dicarboxylic acid or derivatives
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Cyclic alcohol
Secondary alcohol
Amino acid or derivatives
Carboxylic acid ester
1,2-aminoalcohol
Polyol
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Organonitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary aliphatic amine
Carbonyl group
Organic oxygen compound
Alcohol
Organooxygen compound
Organic nitrogen compound
Amine
Primary alcohol
Primary amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

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	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.3	ALOGPS
logP	-7	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	1.83	ChemAxon
pKa (Strongest Basic)	8.13	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	294.45 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	106.78 m³·mol⁻¹	ChemAxon
Polarizability	47.25 Å³	ChemAxon
Number of Rings	2	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
AllCCS	[M+H]+	212.067	32859911
AllCCS	[M+H-H2O]+	210.819	32859911
AllCCS	[M+Na]+	213.503	32859911
AllCCS	[M+NH4]+	213.188	32859911
AllCCS	[M-H]-	211.959	32859911
AllCCS	[M+Na-2H]-	212.648	32859911
AllCCS	[M+HCOO]-	213.557	32859911
DeepCCS	[M+H]+	187.96	30932474
DeepCCS	[M-H]-	186.237	30932474
DeepCCS	[M-2H]-	220.27	30932474
DeepCCS	[M+Na]+	194.289	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C	3728.8	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C	3533.1	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C	7565.5	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3857.0	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3781.4	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	6554.9	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3680.4	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3540.6	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	7108.2	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #61	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	3690.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #61	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	3509.5	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #61	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	6933.9	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #64	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C	3712.2	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #64	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C	3495.7	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #64	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C	6713.5	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #65	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3751.4	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #65	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3648.6	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #65	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	6505.7	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #67	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3867.8	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #67	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3784.8	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #67	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	6500.3	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #92	C[Si](C)(C)OP(=O)(OC[C@@H](COC=O)OC=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	3909.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #92	C[Si](C)(C)OP(=O)(OC[C@@H](COC=O)OC=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	3760.0	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TMS,isomer #92	C[Si](C)(C)OP(=O)(OC[C@@H](COC=O)OC=O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	6168.6	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3658.3	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3507.3	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	6706.3	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #105	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O	3662.4	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #105	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O	3504.8	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #105	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O[Si](C)(C)C)[C@@H]1O	6614.2	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #106	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C	3662.3	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #106	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C	3477.7	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #106	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O[Si](C)(C)C	6713.9	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #107	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3660.3	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #107	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3496.1	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #107	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	6431.4	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #108	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3703.5	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #108	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	3674.8	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #108	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O	6164.2	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #116	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	3675.2	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #116	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	3474.3	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #116	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	6592.8	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #117	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@H]1O	3685.7	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #117	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@H]1O	3459.8	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #117	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@H]1O	6364.5	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #123	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	3680.0	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #123	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	3470.5	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #123	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C	6267.8	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #124	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3719.7	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #124	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	3606.1	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #124	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C	6042.8	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #126	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3809.8	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #126	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3716.0	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #126	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	6075.0	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #127	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3729.6	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #127	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3631.2	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #127	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	5769.2	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #129	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3838.0	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #129	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3757.5	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #129	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	5789.7	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3797.4	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3718.2	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	6122.8	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #54	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3728.6	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #54	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3634.3	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #54	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	6068.3	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #63	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3821.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #63	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3757.0	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #63	C[Si](C)(C)O[C@H]1[C@@H](OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	5833.1	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #64	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3668.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #64	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	3493.8	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #64	C[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	6710.3	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #77	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3732.5	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #77	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3625.7	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #77	C[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	6064.9	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3830.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3739.7	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,4TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	6079.1	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C(C)(C)C	4142.3	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C(C)(C)C	4013.3	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H]1O[Si](C)(C)C(C)(C)C	7304.6	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](N)[C@@H](O)[C@@H]1O	4251.5	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](N)[C@@H](O)[C@@H]1O	4200.1	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](N)[C@@H](O)[C@@H]1O	6925.9	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4296.6	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4253.5	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	6305.7	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4304.0	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)O[C@H](CO)[C@@H](O)[C@@H]1O	4288.1	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2OP(=O)(O)OC[C@@H](COC=O)OC=O)O[C@H](CO)[C@@H](O)[C@@H]1O	6355.6	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4455.6	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4325.3	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	6355.6	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	4254.6	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	4164.1	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	6920.7	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C(C)(C)C	4260.0	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C(C)(C)C	4150.7	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2N)[C@H]1O[Si](C)(C)C(C)(C)C	6757.7	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4304.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	4259.3	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)N[C@H]1[C@@H](O[C@H]2[C@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	6350.0	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O	4468.1	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O	4320.5	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OC[C@@H](COC=O)OC=O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O	6315.4	Standard polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	4269.6	Semi standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	4148.8	Standard non polar	33892256
6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]2OP(=O)(OC[C@@H](COC=O)OC=O)O[Si](C)(C)C(C)(C)C)[C@H](N)[C@@H](O)[C@@H]1O	6685.3	Standard polar	33892256

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 10V, Positive-QTOF	splash10-001i-0910410000-2c3b0ba5ca5469038d72	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 20V, Positive-QTOF	splash10-053r-0902510000-9107d2f9df7f136aeadc	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 40V, Positive-QTOF	splash10-0fni-5930520000-943ebf1bbd9fd86d7987	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 10V, Negative-QTOF	splash10-004i-0000930000-10bccda5c3aa23f68d77	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 20V, Negative-QTOF	splash10-004l-0000910000-b6b6e53bb3f0eb350933	2021-10-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol 40V, Negative-QTOF	splash10-007o-1563930000-efabea15c42e659db566	2021-10-21	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

FDB030591

KNApSAcK ID

Not Available

Chemspider ID

59054026

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25271591

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol (HMDB0304224)

MOL for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D MOL for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D SDF for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D-SDF for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

PDB for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D PDB for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

SMILES for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

INCHI for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

Structure for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

3D Structure for HMDB0304224 (6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

MS/MS Spectra