Hmdb loader

Showing metabocard for dTDP-4-dehydro-6-deoxy-beta-L-mannose (HMDB0304343)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 09:03:52 UTC
Update Date2021-09-24 09:03:53 UTC
HMDB IDHMDB0304343
Secondary Accession NumbersNone
Metabolite Identification
Common NamedTDP-4-dehydro-6-deoxy-beta-L-mannose
DescriptionDtdp-4-dehydro-6-deoxy-beta-l-mannose, also known as dtdp-4-oxo-L-rhamnose or dtdp-6-deoxy-beta-L-lyxo-hex-4-ulose, is a member of the class of compounds known as pyrimidine nucleotide sugars. Pyrimidine nucleotide sugars are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Dtdp-4-dehydro-6-deoxy-beta-l-mannose is soluble (in water) and a moderately acidic compound (based on its pKa). Dtdp-4-dehydro-6-deoxy-beta-l-mannose can be found in a number of food items such as rose hip, white cabbage, fennel, and shallot, which makes dtdp-4-dehydro-6-deoxy-beta-l-mannose a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

 
  Mrv0541 07101213072D          
 
 35 37  0  0  1  0            999 V2000
   16.7582  -10.1782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1897   -8.9558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0846   -9.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5009  -10.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4782   -8.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9125   -8.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4262  -10.1782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6759  -10.9654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4782   -7.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7630   -8.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9125   -7.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6427   -9.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1877  -11.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1934   -7.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6277   -7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0297  -10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1897   -6.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046  -10.4659    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.3834  -10.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046   -9.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046  -11.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584  -10.4659    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.7371  -10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584   -9.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584  -11.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0219  -10.8784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0219  -11.6996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3029  -10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029  -12.1121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7371  -12.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914  -10.8784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5914  -11.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3105  -12.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875  -10.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875  -12.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
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  7  8  1  0  0  0  0
 11 14  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
Download

3D MOL for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

HMDB0304343
     RDKit          3D
dTDP-4-dehydro-6-deoxy-beta-L-mannose
 59 61  0  0  0  0  0  0  0  0999 V2000
   -8.8902   -0.7823    1.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -0.3419    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5842   -0.2535    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8045    0.1337   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3959    0.0939   -0.0228 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7385   -0.7532   -1.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    0.1310   -1.4652 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4192   -0.6893   -1.7547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239    0.8271   -0.1384 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2025    1.5383    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814    0.5535   -0.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684   -0.0079    1.3321 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2781    0.5635    2.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739   -1.7143    1.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.0930    1.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    0.1567   -0.1352 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1966    1.6131   -0.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -0.2373   -1.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -0.8463   -0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.1425    0.1784 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1017   -0.8099    1.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0683    0.0572    1.5042 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8819   -0.4981    2.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    0.4538    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1236    0.3139    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    1.0239   -0.8242 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0287    0.9274   -1.9619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9728    0.2844   -1.1077 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1248   -0.7987   -1.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    1.3138    0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235    0.4435   -1.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6012    0.8016   -2.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6866    0.3657   -1.5880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4961   -0.0194   -0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7455   -0.1151   -0.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5794   -0.2857    2.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8801   -1.8873    1.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9452   -0.5341    1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1638   -0.5075    1.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658   -0.4359    0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210   -1.7088   -0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622   -0.9780   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603    0.8758   -2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551   -0.1837   -2.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471   -0.0714    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804    2.3665   -0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199    1.8538    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900   -2.0264    0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.1260   -2.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9099    0.8096    0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    0.9582    1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3085    0.3707    3.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7146   -1.1391    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692   -1.1082    3.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0399    2.1152   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0873   -0.0337   -2.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2830    1.0415   -1.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2283   -1.1931   -2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0851    0.6042   -2.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 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
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  9 30  1  0
  4 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  2  0
 34  2  1  0
 30  5  1  0
 28 20  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  5 40  1  1
  6 41  1  0
  6 42  1  0
  7 43  1  6
  8 44  1  0
  9 45  1  1
 10 46  1  0
 10 47  1  0
 14 48  1  0
 18 49  1  0
 20 50  1  1
 22 51  1  1
 23 52  1  0
 23 53  1  0
 23 54  1  0
 26 55  1  1
 27 56  1  0
 28 57  1  6
 29 58  1  0
 33 59  1  0
M  END
Download

3D SDF for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

 
  Mrv0541 07101213072D          
 
 35 37  0  0  1  0            999 V2000
   16.7582  -10.1782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1897   -8.9558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0846   -9.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5009  -10.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4782   -8.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9125   -8.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4262  -10.1782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6759  -10.9654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4782   -7.6994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7630   -8.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9125   -7.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6427   -9.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1877  -11.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1934   -7.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6277   -7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0297  -10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1897   -6.4657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046  -10.4659    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.3834  -10.4659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046   -9.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2046  -11.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584  -10.4659    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.7371  -10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584   -9.6446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5584  -11.2909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0219  -10.8784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0219  -11.6996    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3029  -10.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029  -12.1121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7371  -12.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5914  -10.8784    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5914  -11.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3105  -12.9371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875  -10.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875  -12.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  8 13  1  6  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
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 14 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 23  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  6  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 29 33  1  6  0  0  0
 31 34  1  6  0  0  0
 32 35  2  0  0  0  0
  7  8  1  0  0  0  0
 11 14  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0304343

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1

> <INCHI_KEY>
PSXWNITXWWECNY-LPVGZGSHSA-N

> <FORMULA>
C16H24N2O15P2

> <MOLECULAR_WEIGHT>
546.3137

> <EXACT_MASS>
546.065191132

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.26414065005398

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-0.93

> <JCHEM_LOGP>
-2.038333385333333

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.156267955531494

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7324983702137238

> <JCHEM_PKA_STRONGEST_BASIC>
-3.240344259094388

> <JCHEM_POLAR_SURFACE_AREA>
247.91999999999993

> <JCHEM_REFRACTIVITY>
106.9918

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.13e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dtdp-4-keto-L-rhamnose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

HMDB0304343
     RDKit          3D
dTDP-4-dehydro-6-deoxy-beta-L-mannose
 59 61  0  0  0  0  0  0  0  0999 V2000
   -8.8902   -0.7823    1.7199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9721   -0.3419    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5842   -0.2535    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8045    0.1337   -0.1902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3959    0.0939   -0.0228 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7385   -0.7532   -1.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    0.1310   -1.4652 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4192   -0.6893   -1.7547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4239    0.8271   -0.1384 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2025    1.5383    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814    0.5535   -0.1357 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4684   -0.0079    1.3321 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.2781    0.5635    2.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739   -1.7143    1.3774 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    0.0930    1.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    0.1567   -0.1352 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.1966    1.6131   -0.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -0.2373   -1.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1452   -0.8463   -0.2297 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760   -0.1425    0.1784 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1017   -0.8099    1.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0683    0.0572    1.5042 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8819   -0.4981    2.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9415    0.4538    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1236    0.3139    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2592    1.0239   -0.8242 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0287    0.9274   -1.9619 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9728    0.2844   -1.1077 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1248   -0.7987   -1.9565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    1.3138    0.0056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235    0.4435   -1.3818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6012    0.8016   -2.3058 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6866    0.3657   -1.5880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4961   -0.0194   -0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7455   -0.1151   -0.7506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5794   -0.2857    2.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8801   -1.8873    1.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9452   -0.5341    1.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1638   -0.5075    1.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658   -0.4359    0.9367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3210   -1.7088   -0.7023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622   -0.9780   -1.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7603    0.8758   -2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8551   -0.1837   -2.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471   -0.0714    0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9804    2.3665   -0.5347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1199    1.8538    1.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900   -2.0264    0.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9103    0.1260   -2.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9099    0.8096    0.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4980    0.9582    1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3085    0.3707    3.1961 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7146   -1.1391    2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2692   -1.1082    3.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0399    2.1152   -0.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0873   -0.0337   -2.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2830    1.0415   -1.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2283   -1.1931   -2.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0851    0.6042   -2.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 12 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
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  9 30  1  0
  4 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  2  0
 34  2  1  0
 30  5  1  0
 28 20  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  5 40  1  1
  6 41  1  0
  6 42  1  0
  7 43  1  6
  8 44  1  0
  9 45  1  1
 10 46  1  0
 10 47  1  0
 14 48  1  0
 18 49  1  0
 20 50  1  1
 22 51  1  1
 23 52  1  0
 23 53  1  0
 23 54  1  0
 26 55  1  1
 27 56  1  0
 28 57  1  6
 29 58  1  0
 33 59  1  0
M  END
Download

PDB for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

HEADER    PROTEIN                                 10-JUL-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-JUL-12         0                                  
HETATM    1  C   UNK     0      31.282 -18.999   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      32.087 -16.718   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0      30.025 -18.102   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      30.802 -20.469   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      30.759 -15.926   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      33.437 -15.926   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.795 -18.999   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      29.262 -20.469   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      30.759 -14.372   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      29.424 -16.689   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      33.437 -14.372   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      27.333 -18.519   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      28.350 -21.712   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      32.094 -13.609   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      34.772 -13.602   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      26.189 -19.543   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      32.087 -12.069   0.000  0.00  0.00           O+0
HETATM   18  P   UNK     0      24.649 -19.536   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      23.116 -19.536   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      24.649 -18.003   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      24.649 -21.076   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      21.576 -19.536   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      20.043 -19.543   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      21.576 -18.003   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      21.576 -21.076   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      18.708 -20.306   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      18.708 -21.839   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      17.365 -19.543   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      17.365 -22.609   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      20.043 -22.609   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      16.037 -20.306   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.037 -21.839   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      17.380 -24.149   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      14.723 -19.543   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      14.723 -22.609   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9   10                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12    8                                                  
CONECT    8    4   13    7                                                  
CONECT    9    5   14                                                       
CONECT   10    5                                                            
CONECT   11    6   15   14                                                  
CONECT   12    7   16                                                       
CONECT   13    8                                                            
CONECT   14    9   17   11                                                  
CONECT   15   11                                                            
CONECT   16   12   18                                                       
CONECT   17   14                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23   24   25                                             
CONECT   23   22   26                                                       
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26   29   30                                                  
CONECT   28   26   31                                                       
CONECT   29   27   32   33                                                  
CONECT   30   27                                                            
CONECT   31   28   34   32                                                  
CONECT   32   29   35   31                                                  
CONECT   33   29                                                            
CONECT   34   31                                                            
CONECT   35   32                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END
Download

3D PDB for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

COMPND    HMDB0304343
HETATM    1  C1  UNL     1      -8.890  -0.782   1.720  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.972  -0.342   0.646  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.584  -0.254   0.828  1.00  0.00           C  
HETATM    4  N1  UNL     1      -5.804   0.134  -0.190  1.00  0.00           N  
HETATM    5  C4  UNL     1      -4.396   0.094  -0.023  1.00  0.00           C  
HETATM    6  C5  UNL     1      -3.739  -0.753  -1.127  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.518   0.131  -1.465  1.00  0.00           C  
HETATM    8  O1  UNL     1      -1.419  -0.689  -1.755  1.00  0.00           O  
HETATM    9  C7  UNL     1      -2.424   0.827  -0.138  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.203   1.538   0.222  1.00  0.00           C  
HETATM   11  O2  UNL     1      -0.181   0.554  -0.136  1.00  0.00           O  
HETATM   12  P1  UNL     1       0.468  -0.008   1.332  1.00  0.00           P  
HETATM   13  O3  UNL     1      -0.278   0.563   2.508  1.00  0.00           O  
HETATM   14  O4  UNL     1       0.074  -1.714   1.377  1.00  0.00           O  
HETATM   15  O5  UNL     1       2.093   0.093   1.400  1.00  0.00           O  
HETATM   16  P2  UNL     1       2.774   0.157  -0.135  1.00  0.00           P  
HETATM   17  O6  UNL     1       3.197   1.613  -0.337  1.00  0.00           O  
HETATM   18  O7  UNL     1       1.644  -0.237  -1.330  1.00  0.00           O  
HETATM   19  O8  UNL     1       4.145  -0.846  -0.230  1.00  0.00           O  
HETATM   20  C9  UNL     1       5.276  -0.143   0.178  1.00  0.00           C  
HETATM   21  O9  UNL     1       6.102  -0.810   1.032  1.00  0.00           O  
HETATM   22  C10 UNL     1       7.068   0.057   1.504  1.00  0.00           C  
HETATM   23  C11 UNL     1       7.882  -0.498   2.633  1.00  0.00           C  
HETATM   24  C12 UNL     1       7.942   0.454   0.369  1.00  0.00           C  
HETATM   25  O10 UNL     1       9.124   0.314   0.410  1.00  0.00           O  
HETATM   26  C13 UNL     1       7.259   1.024  -0.824  1.00  0.00           C  
HETATM   27  O11 UNL     1       8.029   0.927  -1.962  1.00  0.00           O  
HETATM   28  C14 UNL     1       5.973   0.284  -1.108  1.00  0.00           C  
HETATM   29  O12 UNL     1       6.125  -0.799  -1.957  1.00  0.00           O  
HETATM   30  O13 UNL     1      -3.685   1.314   0.006  1.00  0.00           O  
HETATM   31  C15 UNL     1      -6.323   0.443  -1.382  1.00  0.00           C  
HETATM   32  O14 UNL     1      -5.601   0.802  -2.306  1.00  0.00           O  
HETATM   33  N2  UNL     1      -7.687   0.366  -1.588  1.00  0.00           N  
HETATM   34  C16 UNL     1      -8.496  -0.019  -0.606  1.00  0.00           C  
HETATM   35  O15 UNL     1      -9.745  -0.115  -0.751  1.00  0.00           O  
HETATM   36  H1  UNL     1      -8.579  -0.286   2.639  1.00  0.00           H  
HETATM   37  H2  UNL     1      -8.880  -1.887   1.875  1.00  0.00           H  
HETATM   38  H3  UNL     1      -9.945  -0.534   1.473  1.00  0.00           H  
HETATM   39  H4  UNL     1      -6.164  -0.508   1.780  1.00  0.00           H  
HETATM   40  H5  UNL     1      -4.066  -0.436   0.937  1.00  0.00           H  
HETATM   41  H6  UNL     1      -3.321  -1.709  -0.702  1.00  0.00           H  
HETATM   42  H7  UNL     1      -4.362  -0.978  -1.965  1.00  0.00           H  
HETATM   43  H8  UNL     1      -2.760   0.876  -2.212  1.00  0.00           H  
HETATM   44  H9  UNL     1      -0.855  -0.184  -2.401  1.00  0.00           H  
HETATM   45  H10 UNL     1      -2.447  -0.071   0.669  1.00  0.00           H  
HETATM   46  H11 UNL     1      -0.980   2.367  -0.535  1.00  0.00           H  
HETATM   47  H12 UNL     1      -1.120   1.854   1.231  1.00  0.00           H  
HETATM   48  H13 UNL     1       0.090  -2.026   0.415  1.00  0.00           H  
HETATM   49  H14 UNL     1       1.910   0.126  -2.189  1.00  0.00           H  
HETATM   50  H15 UNL     1       4.910   0.810   0.649  1.00  0.00           H  
HETATM   51  H16 UNL     1       6.498   0.958   1.889  1.00  0.00           H  
HETATM   52  H17 UNL     1       8.308   0.371   3.196  1.00  0.00           H  
HETATM   53  H18 UNL     1       8.715  -1.139   2.231  1.00  0.00           H  
HETATM   54  H19 UNL     1       7.269  -1.108   3.302  1.00  0.00           H  
HETATM   55  H20 UNL     1       7.040   2.115  -0.656  1.00  0.00           H  
HETATM   56  H21 UNL     1       8.087  -0.034  -2.219  1.00  0.00           H  
HETATM   57  H22 UNL     1       5.283   1.042  -1.582  1.00  0.00           H  
HETATM   58  H23 UNL     1       5.228  -1.193  -2.107  1.00  0.00           H  
HETATM   59  H24 UNL     1      -8.085   0.604  -2.534  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    3   34
CONECT    3    4   39
CONECT    4    5   31
CONECT    5    6   30   40
CONECT    6    7   41   42
CONECT    7    8    9   43
CONECT    8   44
CONECT    9   10   30   45
CONECT   10   11   46   47
CONECT   11   12
CONECT   12   13   13   14   15
CONECT   14   48
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   49
CONECT   19   20
CONECT   20   21   28   50
CONECT   21   22
CONECT   22   23   24   51
CONECT   23   52   53   54
CONECT   24   25   25   26
CONECT   26   27   28   55
CONECT   27   56
CONECT   28   29   57
CONECT   29   58
CONECT   31   32   32   33
CONECT   33   34   59
CONECT   34   35   35
END
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SMILES for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)C1=O
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INCHI for HMDB0304343 (dTDP-4-dehydro-6-deoxy-beta-L-mannose)

InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
dTDP-4-KETO-L-rhamnoseChEBI
dTDP-4-oxo-6-Deoxy-L-mannoseChEBI
dTDP-4-oxo-L-RhamnoseChEBI
dTDP-6-Deoxy-beta-L-lyxo-hex-4-uloseChEBI
dTDP-4-Dehydro-6-deoxy-beta-L-mannoseKegg
dTDP-6-Deoxy-b-L-lyxo-hex-4-uloseGenerator
dTDP-6-Deoxy-β-L-lyxo-hex-4-uloseGenerator
dTDP-4-Dehydro-6-deoxy-b-L-mannoseGenerator
dTDP-4-Dehydro-6-deoxy-β-L-mannoseGenerator
dTDP-4-Dehydro-b-L-rhamnoseGenerator
dTDP-4-Dehydro-β-L-rhamnoseGenerator
Chemical FormulaC16H24N2O15P2
Average Molecular Weight546.3137
Monoisotopic Molecular Weight546.065191132
IUPAC Name{[(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]oxy}({[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy})phosphinic acid
Traditional Namedtdp-4-keto-L-rhamnose
CAS Registry NumberNot Available
SMILES
C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)[C@H](O)[C@H](O)C1=O
InChI Identifier
InChI=1S/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8-,9+,10+,12+,13+,15+/m0/s1
InChI KeyPSXWNITXWWECNY-LPVGZGSHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as kaurane diterpenoids. These are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassDiterpenoids
Direct ParentKaurane diterpenoids
Alternative Parents
Substituents
  • Kaurane diterpenoid
  • Cyclic alcohol
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.93ALOGPS
logP-2ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)1.73ChemAxon
pKa (Strongest Basic)-3.2ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area247.92 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity106.99 m³·mol⁻¹ChemAxon
Polarizability45.26 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+211.97432859911
AllCCS[M+H-H2O]+210.38932859911
AllCCS[M+Na]+213.81732859911
AllCCS[M+NH4]+213.41132859911
AllCCS[M-H]-206.38432859911
AllCCS[M+Na-2H]-207.55132859911
AllCCS[M+HCOO]-208.97432859911
DeepCCS[M+H]+196.03130932474
DeepCCS[M-H]-194.20630932474
DeepCCS[M-2H]-227.44830932474
DeepCCS[M+Na]+201.63730932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20229.9088 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20229.03 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid710.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid188.8 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid69.7 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid166.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid58.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid296.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid376.2 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)397.3 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid596.8 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid310.0 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid751.3 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid210.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid229.6 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate565.2 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA200.3 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water496.7 seconds40023050

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #1CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3737.6Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #1CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3857.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #1CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O5249.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #10CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3798.1Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #10CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3860.7Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #10CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5429.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #11CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O13794.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #11CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O13830.5Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #11CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O15449.9Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #12CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3817.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #12CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3904.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #12CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5358.2Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #13CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3818.2Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #13CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3874.6Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #13CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O5820.2Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #14CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O13821.1Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #14CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O13844.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #14CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O15836.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #15CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3788.1Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #15CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3933.5Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #15CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O4978.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #16CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3776.5Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #16CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3900.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #16CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O5418.0Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #17CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13777.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #17CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13829.9Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #17CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O15414.7Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #18CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3800.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #18CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3923.0Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #18CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5332.3Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #19CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3784.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #19CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3893.7Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #19CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5457.2Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #2CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3756.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #2CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3855.9Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #2CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5284.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #20CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O13782.9Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #20CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O13823.0Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #20CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O15454.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #21CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3809.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #21CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3920.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #21CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5371.7Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #22CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3802.7Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #22CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3905.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #22CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5850.4Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #23CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O13807.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #23CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O13836.7Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #23CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O15844.9Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #24CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3829.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #24CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3952.7Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #24CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5174.6Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #25CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13837.5Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #25CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13899.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #25CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O15175.6Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #26CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3852.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #26CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3970.7Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #26CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5089.6Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #27CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3845.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #27CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3959.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #27CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O5551.9Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #28CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13875.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #28CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13905.0Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #28CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O15545.6Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #29CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3848.8Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #29CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3952.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #29CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5595.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #3CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3757.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #3CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3817.6Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #3CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O5726.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #30CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O13869.5Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #30CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O13895.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #30CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O[Si](C)(C)C)O15589.0Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #31CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3800.7Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #31CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3908.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #31CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O4969.4Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #32CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3787.6Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #32CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O3858.4Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #32CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)[NH]C1=O5388.6Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #33CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O13789.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #33CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O13802.9Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #33CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O15418.3Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #34CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3812.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #34CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3898.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #34CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5324.0Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #35CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3800.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #35CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3852.7Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #35CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5417.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #36CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O13800.2Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #36CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O13797.4Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #36CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O15449.2Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #37CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3820.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #37CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3897.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #37CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5352.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #38CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3814.7Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #38CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3864.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #38CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5807.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #39CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O13814.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #39CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O13809.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #39CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O15834.3Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #4CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O13759.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #4CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O13766.0Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #4CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O15757.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #40CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3824.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #40CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3942.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #40CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5122.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #41CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O13825.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #41CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O13861.0Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #41CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O15119.0Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #42CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3841.9Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #42CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3969.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #42CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5032.7Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #43CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3829.6Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #43CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3948.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #43CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5501.3Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #44CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O13836.5Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #44CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O13868.5Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #44CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O15491.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #45CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3833.6Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #45CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3942.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #45CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5533.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #46CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O13838.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #46CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O13861.6Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #46CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O15523.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #47CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3828.8Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #47CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3902.9Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #47CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O5095.6Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #48CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O13836.2Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #48CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O13869.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #48CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O)O[Si](C)(C)C)O15116.3Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #49CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3846.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #49CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3953.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #49CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5021.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #5CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3780.7Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #5CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3850.2Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #5CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5666.8Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #50CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3843.2Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #50CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3912.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #50CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O5466.7Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #51CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O13850.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #51CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O13877.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #51CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O15484.4Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #52CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3847.4Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #52CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3905.3Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #52CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5501.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #53CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O13850.9Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #53CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O13867.8Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #53CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O15518.7Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #54CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O3873.6Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #54CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O4002.5Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #54CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O)[C@H]3O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O5236.7Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #55CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O13898.5Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #55CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O13935.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #55CC1=C(O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)N([Si](C)(C)C)C3=O)C[C@@H]2O)O[Si](C)(C)C)O15231.0Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #6CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3790.3Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #6CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O3917.9Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #6CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O4967.5Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #7CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)[NH]C1=O3787.2Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #7CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)[NH]C1=O3868.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #7CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(O[Si](C)(C)C)=C(O[Si](C)(C)C)[C@H]3O)O2)C(=O)[NH]C1=O5387.0Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #8CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13788.0Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #8CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O13840.1Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #8CC1=C(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=C(C)C(=O)[NH]C3=O)C[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O15407.1Standard polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #9CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3807.1Semi standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #9CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O3905.9Standard non polar33892256
dTDP-4-dehydro-6-deoxy-beta-L-mannose,4TMS,isomer #9CC1=CN([C@H]2C[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@@H](C)C(=O)[C@@H](O[Si](C)(C)C)[C@H]3O)O2)C(=O)N([Si](C)(C)C)C1=O5315.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose GC-MS (TMS_3_32) - 70eV, PositiveNot Available2022-08-08Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 10V, Positive-QTOFsplash10-004i-0900000000-d8bcab3cb69bb9b319772019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 20V, Positive-QTOFsplash10-004i-3911000000-e257b0c304ce6807e2ed2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 40V, Positive-QTOFsplash10-004i-4900000000-ad5cfef5709e8b2919152019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 10V, Negative-QTOFsplash10-0f6t-3303290000-7fe9024fb90fd086b54e2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 20V, Negative-QTOFsplash10-0w4l-8905010000-ce0f223b98fc4e83f4b02019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 40V, Negative-QTOFsplash10-0a6u-5901000000-b3d378b57fb833ddd9652019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 10V, Positive-QTOFsplash10-002b-0301090000-2b178203d01f87884f2e2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 20V, Positive-QTOFsplash10-004i-9864440000-97fb5055e9291bb118ba2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 40V, Positive-QTOFsplash10-05di-9510000000-03d88eb4122699f5460b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 10V, Negative-QTOFsplash10-0002-0000090000-7f4d40042dbc95c446222021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 20V, Negative-QTOFsplash10-056r-9404310000-f137c2cfff47fd5ef4e32021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - dTDP-4-dehydro-6-deoxy-beta-L-mannose 40V, Negative-QTOFsplash10-001i-2309100000-9ccb4e49f4478067383b2021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB030837
KNApSAcK IDNot Available
Chemspider ID391477
KEGG Compound IDC00688
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound443211
PDB IDNot Available
ChEBI ID45868
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available