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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (42) Show 42 proteins XML

enzymes (42) Show 42 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2022-03-07 02:49:04 UTC

HMDB ID

HMDB0000596

Secondary Accession Numbers

HMDB00596

Metabolite Identification

Common Name

Glucosylsphingosine

Description

Glucosylsphingosine, also known as glucopsychosine or GLCSPH, belongs to the class of organic compounds known as glycosphingolipids. These are sphingolipids containing a saccharide moiety glycosidically attached to the sphingoid base. Although saccharide moieties are mostly O-glycosidically linked to the ceramide moiety, other sphingolipids with glycosidic bonds of other types (e.g. S-,C-, or N-type) has been reported. Glucosylsphingosine is a very strong basic compound (based on its pKa).

Structure

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

Glucosylsphingosine.mol
  Mrv1652305231918352D          

 32 32  0  0  0  0            999 V2000
    1.0717   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7862   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  1  0  0  0
 31 32  1  0  0  0  0
 22 30  1  0  0  0  0
  1 22  1  0  0  0  0
M  END

HMDB0000596
     RDKit          3D
Glucosylsphingosine
 79 79  0  0  0  0  0  0  0  0999 V2000
    7.7885    2.0008    3.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3283    2.4504    2.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    2.2608    1.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    0.7932    1.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    0.4715    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    0.8458   -1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2341    0.5274   -2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077   -0.9494   -2.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159   -1.1348   -3.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385   -2.5777   -3.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -3.0901   -1.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -2.3476   -1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -2.4742   -2.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371   -1.7603   -1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -1.0976   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0029   -0.3876   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305    0.0486   -1.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912   -1.3557    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214   -2.4935   -0.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130   -0.7289    1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9116   -0.2632    0.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9964    0.2925    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0761    1.6240    0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8892    2.3693    1.2230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9804    2.9905    2.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0617    3.7988    1.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8765    1.4809    1.9542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9309    2.3110    2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4177    0.3960    1.0799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.2279   -0.4263    1.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2869   -0.3875    0.4517 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5317   -0.4369   -0.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4548    2.4691    4.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    0.8844    3.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    2.3104    3.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2158    1.8638    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5986    3.5245    2.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6501    2.6591    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731    2.8424    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8450    0.2156    1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5252    0.5145    2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983   -0.6245    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    0.9541    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    0.2492   -1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5795    1.9211   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    1.0550   -1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5511    0.8545   -3.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.5813   -2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919   -1.2361   -1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784   -0.4839   -2.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.8149   -4.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307   -3.1827   -3.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   -2.7328   -4.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928   -3.0555   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -4.1893   -2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -1.2992   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -2.8405   -0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610   -2.1260   -3.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3086   -3.5646   -2.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112   -1.7840   -2.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -1.0560   -0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    0.5021    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962   -0.6923   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358   -1.7069    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -2.3748   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -3.3707    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5317   -1.5501    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993    0.0132    1.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8522    0.2151    1.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4300    3.1203    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3855    2.1880    2.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5781    3.5737    3.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3824    4.1247    2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4006    1.1001    2.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7765    1.8036    2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0823    0.8515    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1273   -1.3642    1.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3407   -1.4252    0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5793    0.4951   -1.2578 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 22  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 12 56  1  0
 12 57  1  0
 13 58  1  0
 13 59  1  0
 14 60  1  0
 15 61  1  0
 16 62  1  0
 17 63  1  0
 18 64  1  0
 19 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 22 69  1  0
 24 70  1  6
 25 71  1  0
 25 72  1  0
 26 73  1  0
 27 74  1  1
 28 75  1  0
 29 76  1  6
 30 77  1  0
 31 78  1  1
 32 79  1  0
M  END

Glucosylsphingosine.mol
  Mrv1652305231918352D          

 32 32  0  0  0  0            999 V2000
    1.0717   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -4.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7862   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3572   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  1  0  0  0
 31 32  1  0  0  0  0
 22 30  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000596

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21-,22+,23-,24?/m1/s1

> <INCHI_KEY>
HHJTWTPUPVQKNA-KEVGHMQTSA-N

> <FORMULA>
C24H47NO7

> <MOLECULAR_WEIGHT>
461.6325

> <EXACT_MASS>
461.335252863

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
55.152538794317195

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4S,5S,6R)-2-{[(4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
3.16

> <JCHEM_LOGP>
2.795744402999998

> <ALOGPS_LOGS>
-3.71

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.16092564682734

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.20649866259466

> <JCHEM_PKA_STRONGEST_BASIC>
9.12180575925232

> <JCHEM_POLAR_SURFACE_AREA>
145.63000000000002

> <JCHEM_REFRACTIVITY>
124.3053

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.04e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glucopsychosine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000596
     RDKit          3D
Glucosylsphingosine
 79 79  0  0  0  0  0  0  0  0999 V2000
    7.7885    2.0008    3.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3283    2.4504    2.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    2.2608    1.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    0.7932    1.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    0.4715    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    0.8458   -1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2341    0.5274   -2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077   -0.9494   -2.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159   -1.1348   -3.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385   -2.5777   -3.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -3.0901   -1.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -2.3476   -1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -2.4742   -2.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371   -1.7603   -1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -1.0976   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0029   -0.3876   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305    0.0486   -1.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912   -1.3557    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214   -2.4935   -0.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130   -0.7289    1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9116   -0.2632    0.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9964    0.2925    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0761    1.6240    0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8892    2.3693    1.2230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9804    2.9905    2.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0617    3.7988    1.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8765    1.4809    1.9542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9309    2.3110    2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4177    0.3960    1.0799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.2279   -0.4263    1.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2869   -0.3875    0.4517 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5317   -0.4369   -0.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4548    2.4691    4.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    0.8844    3.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    2.3104    3.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2158    1.8638    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5986    3.5245    2.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6501    2.6591    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731    2.8424    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8450    0.2156    1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5252    0.5145    2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983   -0.6245    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    0.9541    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    0.2492   -1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5795    1.9211   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    1.0550   -1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5511    0.8545   -3.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.5813   -2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919   -1.2361   -1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784   -0.4839   -2.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.8149   -4.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307   -3.1827   -3.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   -2.7328   -4.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928   -3.0555   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -4.1893   -2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -1.2992   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -2.8405   -0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610   -2.1260   -3.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3086   -3.5646   -2.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112   -1.7840   -2.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -1.0560   -0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    0.5021    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962   -0.6923   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358   -1.7069    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -2.3748   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -3.3707    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5317   -1.5501    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993    0.0132    1.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8522    0.2151    1.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4300    3.1203    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3855    2.1880    2.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5781    3.5737    3.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3824    4.1247    2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4006    1.1001    2.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7765    1.8036    2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0823    0.8515    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1273   -1.3642    1.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3407   -1.4252    0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5793    0.4951   -1.2578 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 22  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 12 56  1  0
 12 57  1  0
 13 58  1  0
 13 59  1  0
 14 60  1  0
 15 61  1  0
 16 62  1  0
 17 63  1  0
 18 64  1  0
 19 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 22 69  1  0
 24 70  1  6
 25 71  1  0
 25 72  1  0
 26 73  1  0
 27 74  1  1
 28 75  1  0
 29 76  1  6
 30 77  1  0
 31 78  1  1
 32 79  1  0
M  END

HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Glucosylsphingosine.mol                           
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1  O   UNK     0       2.001  -6.930   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       3.334  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.668  -6.930   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       6.002  -7.700   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       4.668  -5.390   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.002  -4.620   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       3.334  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.334  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.667   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.667   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.667   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.667   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.001   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.001   6.160   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.334   6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.334   8.470   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.668   9.240   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.668  10.780   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.002  11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.667  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.667  -9.240   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       2.001 -10.010   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.667 -10.010   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.667 -11.550   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.001  -9.240   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.334 -10.010   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.001  -7.700   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -0.667  -6.930   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -3.334  -6.930   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.668  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2   22                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   23   30    1                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29   22                                                       
CONECT   31   29   32                                                       
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   64    0
END

COMPND    HMDB0000596
HETATM    1  C1  UNL     1       7.788   2.001   3.782  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.328   2.450   2.437  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.255   2.261   1.356  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.931   0.793   1.341  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.864   0.472   0.302  1.00  0.00           C  
HETATM    6  C6  UNL     1       6.313   0.846  -1.084  1.00  0.00           C  
HETATM    7  C7  UNL     1       5.234   0.527  -2.067  1.00  0.00           C  
HETATM    8  C8  UNL     1       4.908  -0.949  -2.059  1.00  0.00           C  
HETATM    9  C9  UNL     1       3.816  -1.135  -3.110  1.00  0.00           C  
HETATM   10  C10 UNL     1       3.438  -2.578  -3.184  1.00  0.00           C  
HETATM   11  C11 UNL     1       2.917  -3.090  -1.889  1.00  0.00           C  
HETATM   12  C12 UNL     1       1.688  -2.348  -1.405  1.00  0.00           C  
HETATM   13  C13 UNL     1       0.564  -2.474  -2.425  1.00  0.00           C  
HETATM   14  C14 UNL     1      -0.637  -1.760  -1.971  1.00  0.00           C  
HETATM   15  C15 UNL     1      -0.755  -1.098  -0.848  1.00  0.00           C  
HETATM   16  C16 UNL     1      -2.003  -0.388  -0.434  1.00  0.00           C  
HETATM   17  O1  UNL     1      -2.730   0.049  -1.538  1.00  0.00           O  
HETATM   18  C17 UNL     1      -2.791  -1.356   0.413  1.00  0.00           C  
HETATM   19  N1  UNL     1      -3.121  -2.493  -0.428  1.00  0.00           N  
HETATM   20  C18 UNL     1      -4.013  -0.729   1.022  1.00  0.00           C  
HETATM   21  O2  UNL     1      -4.912  -0.263   0.096  1.00  0.00           O  
HETATM   22  C19 UNL     1      -5.996   0.293   0.771  1.00  0.00           C  
HETATM   23  O3  UNL     1      -6.076   1.624   0.369  1.00  0.00           O  
HETATM   24  C20 UNL     1      -6.889   2.369   1.223  1.00  0.00           C  
HETATM   25  C21 UNL     1      -5.980   2.991   2.270  1.00  0.00           C  
HETATM   26  O4  UNL     1      -5.062   3.799   1.591  1.00  0.00           O  
HETATM   27  C22 UNL     1      -7.876   1.481   1.954  1.00  0.00           C  
HETATM   28  O5  UNL     1      -8.931   2.311   2.373  1.00  0.00           O  
HETATM   29  C23 UNL     1      -8.418   0.396   1.080  1.00  0.00           C  
HETATM   30  O6  UNL     1      -9.228  -0.426   1.878  1.00  0.00           O  
HETATM   31  C24 UNL     1      -7.287  -0.387   0.452  1.00  0.00           C  
HETATM   32  O7  UNL     1      -7.532  -0.437  -0.920  1.00  0.00           O  
HETATM   33  H1  UNL     1       8.455   2.469   4.552  1.00  0.00           H  
HETATM   34  H2  UNL     1       7.861   0.884   3.818  1.00  0.00           H  
HETATM   35  H3  UNL     1       6.739   2.310   3.889  1.00  0.00           H  
HETATM   36  H4  UNL     1       9.216   1.864   2.138  1.00  0.00           H  
HETATM   37  H5  UNL     1       8.599   3.525   2.427  1.00  0.00           H  
HETATM   38  H6  UNL     1       7.650   2.659   0.419  1.00  0.00           H  
HETATM   39  H7  UNL     1       6.373   2.842   1.690  1.00  0.00           H  
HETATM   40  H8  UNL     1       7.845   0.216   1.061  1.00  0.00           H  
HETATM   41  H9  UNL     1       6.525   0.514   2.319  1.00  0.00           H  
HETATM   42  H10 UNL     1       5.698  -0.624   0.388  1.00  0.00           H  
HETATM   43  H11 UNL     1       4.921   0.954   0.597  1.00  0.00           H  
HETATM   44  H12 UNL     1       7.219   0.249  -1.341  1.00  0.00           H  
HETATM   45  H13 UNL     1       6.579   1.921  -1.131  1.00  0.00           H  
HETATM   46  H14 UNL     1       4.272   1.055  -1.824  1.00  0.00           H  
HETATM   47  H15 UNL     1       5.551   0.855  -3.083  1.00  0.00           H  
HETATM   48  H16 UNL     1       5.786  -1.581  -2.251  1.00  0.00           H  
HETATM   49  H17 UNL     1       4.492  -1.236  -1.061  1.00  0.00           H  
HETATM   50  H18 UNL     1       2.978  -0.484  -2.783  1.00  0.00           H  
HETATM   51  H19 UNL     1       4.180  -0.815  -4.107  1.00  0.00           H  
HETATM   52  H20 UNL     1       4.331  -3.183  -3.453  1.00  0.00           H  
HETATM   53  H21 UNL     1       2.716  -2.733  -4.015  1.00  0.00           H  
HETATM   54  H22 UNL     1       3.693  -3.056  -1.118  1.00  0.00           H  
HETATM   55  H23 UNL     1       2.685  -4.189  -2.007  1.00  0.00           H  
HETATM   56  H24 UNL     1       1.937  -1.299  -1.177  1.00  0.00           H  
HETATM   57  H25 UNL     1       1.354  -2.841  -0.470  1.00  0.00           H  
HETATM   58  H26 UNL     1       0.861  -2.126  -3.421  1.00  0.00           H  
HETATM   59  H27 UNL     1       0.309  -3.565  -2.461  1.00  0.00           H  
HETATM   60  H28 UNL     1      -1.511  -1.784  -2.629  1.00  0.00           H  
HETATM   61  H29 UNL     1       0.093  -1.056  -0.176  1.00  0.00           H  
HETATM   62  H30 UNL     1      -1.709   0.502   0.150  1.00  0.00           H  
HETATM   63  H31 UNL     1      -3.196  -0.692  -1.999  1.00  0.00           H  
HETATM   64  H32 UNL     1      -2.136  -1.707   1.227  1.00  0.00           H  
HETATM   65  H33 UNL     1      -3.986  -2.375  -0.968  1.00  0.00           H  
HETATM   66  H34 UNL     1      -3.022  -3.371   0.094  1.00  0.00           H  
HETATM   67  H35 UNL     1      -4.532  -1.550   1.592  1.00  0.00           H  
HETATM   68  H36 UNL     1      -3.699   0.013   1.768  1.00  0.00           H  
HETATM   69  H37 UNL     1      -5.852   0.215   1.878  1.00  0.00           H  
HETATM   70  H38 UNL     1      -7.430   3.120   0.641  1.00  0.00           H  
HETATM   71  H39 UNL     1      -5.386   2.188   2.751  1.00  0.00           H  
HETATM   72  H40 UNL     1      -6.578   3.574   3.010  1.00  0.00           H  
HETATM   73  H41 UNL     1      -4.382   4.125   2.254  1.00  0.00           H  
HETATM   74  H42 UNL     1      -7.401   1.100   2.874  1.00  0.00           H  
HETATM   75  H43 UNL     1      -9.777   1.804   2.448  1.00  0.00           H  
HETATM   76  H44 UNL     1      -9.082   0.851   0.316  1.00  0.00           H  
HETATM   77  H45 UNL     1      -9.127  -1.364   1.573  1.00  0.00           H  
HETATM   78  H46 UNL     1      -7.341  -1.425   0.863  1.00  0.00           H  
HETATM   79  H47 UNL     1      -7.579   0.495  -1.258  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3   36   37
CONECT    3    4   38   39
CONECT    4    5   40   41
CONECT    5    6   42   43
CONECT    6    7   44   45
CONECT    7    8   46   47
CONECT    8    9   48   49
CONECT    9   10   50   51
CONECT   10   11   52   53
CONECT   11   12   54   55
CONECT   12   13   56   57
CONECT   13   14   58   59
CONECT   14   15   15   60
CONECT   15   16   61
CONECT   16   17   18   62
CONECT   17   63
CONECT   18   19   20   64
CONECT   19   65   66
CONECT   20   21   67   68
CONECT   21   22
CONECT   22   23   31   69
CONECT   23   24
CONECT   24   25   27   70
CONECT   25   26   71   72
CONECT   26   73
CONECT   27   28   29   74
CONECT   28   75
CONECT   29   30   31   76
CONECT   30   77
CONECT   31   32   78
CONECT   32   79
END

HMDB0000596
     RDKit          3D
Glucosylsphingosine
 79 79  0  0  0  0  0  0  0  0999 V2000
    7.7885    2.0008    3.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3283    2.4504    2.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552    2.2608    1.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9307    0.7932    1.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8636    0.4715    0.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125    0.8458   -1.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2341    0.5274   -2.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9077   -0.9494   -2.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8159   -1.1348   -3.1104 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4385   -2.5777   -3.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9174   -3.0901   -1.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -2.3476   -1.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5644   -2.4742   -2.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6371   -1.7603   -1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7546   -1.0976   -0.8483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0029   -0.3876   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7305    0.0486   -1.5382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7912   -1.3557    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1214   -2.4935   -0.4280 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130   -0.7289    1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9116   -0.2632    0.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9964    0.2925    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0761    1.6240    0.3687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8892    2.3693    1.2230 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9804    2.9905    2.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0617    3.7988    1.5905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8765    1.4809    1.9542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.9309    2.3110    2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4177    0.3960    1.0799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.2279   -0.4263    1.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2869   -0.3875    0.4517 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5317   -0.4369   -0.9200 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4548    2.4691    4.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    0.8844    3.8176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7387    2.3104    3.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2158    1.8638    2.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5986    3.5245    2.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6501    2.6591    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731    2.8424    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8450    0.2156    1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5252    0.5145    2.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6983   -0.6245    0.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    0.9541    0.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    0.2492   -1.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5795    1.9211   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    1.0550   -1.8238 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5511    0.8545   -3.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.5813   -2.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4919   -1.2361   -1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9784   -0.4839   -2.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -0.8149   -4.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307   -3.1827   -3.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7160   -2.7328   -4.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6928   -3.0555   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -4.1893   -2.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373   -1.2992   -1.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543   -2.8405   -0.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8610   -2.1260   -3.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3086   -3.5646   -2.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5112   -1.7840   -2.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -1.0560   -0.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    0.5021    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1962   -0.6923   -1.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1358   -1.7069    1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9859   -2.3748   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -3.3707    0.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5317   -1.5501    1.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6993    0.0132    1.7682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8522    0.2151    1.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4300    3.1203    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3855    2.1880    2.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5781    3.5737    3.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3824    4.1247    2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4006    1.1001    2.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7765    1.8036    2.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0823    0.8515    0.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1273   -1.3642    1.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3407   -1.4252    0.8629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5793    0.4951   -1.2578 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 22  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 12 56  1  0
 12 57  1  0
 13 58  1  0
 13 59  1  0
 14 60  1  0
 15 61  1  0
 16 62  1  0
 17 63  1  0
 18 64  1  0
 19 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 22 69  1  0
 24 70  1  6
 25 71  1  0
 25 72  1  0
 26 73  1  0
 27 74  1  1
 28 75  1  0
 29 76  1  6
 30 77  1  0
 31 78  1  1
 32 79  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(R-(R,s-(e)))-beta-D-glucopyranoside 2-amino-3-hydroxy-4-octadecenyl	HMDB
(R-(R,s-(e)))-beta-delta-glucopyranoside 2-amino-3-hydroxy-4-octadecenyl	HMDB
D-Glucosyl-N-acylsphingosine	HMDB
delta-Glucosyl-N-acylsphingosine	HMDB
Glucopsychosine	HMDB
Glucosyl psychosine	HMDB
Glucosyl sphingosine	HMDB
Sphingosyl beta-glucoside	HMDB
GLCSPH	HMDB
Glucosylsphingosine	MeSH

Chemical Formula

C₂₄H₄₇NO₇

Average Molecular Weight

461.6325

Monoisotopic Molecular Weight

461.335252863

IUPAC Name

(3R,4S,5S,6R)-2-{[(4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

glucopsychosine

CAS Registry Number

52050-17-6

SMILES

CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21-,22+,23-,24?/m1/s1

InChI Key

HHJTWTPUPVQKNA-KEVGHMQTSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosphingolipids. These are sphingolipids containing a saccharide moiety glycosidically attached to the sphingoid base. Although saccharide moieties are mostly O-glycosidically linked to the ceramide moiety, other sphingolipids with glycosidic bonds of other types (e.G. S-,C-, or N-type) has been reported.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Sphingolipids

Sub Class

Glycosphingolipids

Direct Parent

Glycosphingolipids

Alternative Parents

Substituents

Glycosphingolipid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Fatty acyl
Oxane
Monosaccharide
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Acetal
Polyol
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary alcohol
Primary amine
Alcohol
Organic nitrogen compound
Amine
Hydrocarbon derivative
Organopnictogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Disposition

Biological location

Cellular substructure

Extracellular

Bone marrow

Epithelium

Epidermis

Cell

Neuron

Horse

Lagomorphs

Ovis

Sheep (Mutton, Lamb)

Caprae

Domestic goat

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.09 g/L	ALOGPS
logP	3.16	ALOGPS
logP	2.8	ChemAxon
logS	-3.7	ALOGPS
pKa (Strongest Acidic)	12.21	ChemAxon
pKa (Strongest Basic)	9.12	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	145.63 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	124.31 m³·mol⁻¹	ChemAxon
Polarizability	55.15 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	219.45	31661259
DarkChem	[M-H]-	216.333	31661259
AllCCS	[M+H]+	223.669	32859911
AllCCS	[M-H]-	215.94	32859911
DeepCCS	[M+H]+	215.994	30932474
DeepCCS	[M-H]-	212.702	30932474
DeepCCS	[M-2H]-	247.045	30932474
DeepCCS	[M+Na]+	223.459	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glucosylsphingosine	CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3424.6	Standard polar	33892256
Glucosylsphingosine	CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3601.9	Standard non polar	33892256
Glucosylsphingosine	CCCCCCCCCCCCC\C=C\C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3696.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glucosylsphingosine,1TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3634.7	Semi standard non polar	33892256
Glucosylsphingosine,1TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3562.1	Semi standard non polar	33892256
Glucosylsphingosine,1TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3547.6	Semi standard non polar	33892256
Glucosylsphingosine,1TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3536.2	Semi standard non polar	33892256
Glucosylsphingosine,1TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3569.0	Semi standard non polar	33892256
Glucosylsphingosine,1TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C	3710.4	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3568.3	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #10	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3493.7	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #11	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3515.3	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #12	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C	3623.8	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #13	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3518.4	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #14	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3605.6	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #15	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3629.0	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #16	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3803.5	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3568.4	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3538.4	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3571.8	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C	3669.4	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3514.6	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #7	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3506.6	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #8	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3518.6	Semi standard non polar	33892256
Glucosylsphingosine,2TMS,isomer #9	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C	3622.1	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3496.7	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #10	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3610.3	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #11	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3819.4	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #12	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3449.9	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #13	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3483.6	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #14	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C	3556.0	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #15	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3472.1	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #16	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3555.2	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #17	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3573.5	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #18	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3770.2	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #19	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3437.6	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3509.1	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #20	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3536.6	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #21	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3566.0	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #22	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3758.5	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #23	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3562.5	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #24	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3742.2	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #25	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3773.3	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3514.9	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C	3591.9	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3497.8	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3519.4	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #7	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C	3594.8	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #8	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3520.7	Semi standard non polar	33892256
Glucosylsphingosine,3TMS,isomer #9	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3582.7	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3471.9	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #10	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3562.1	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #11	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3770.1	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #12	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3557.6	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #13	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3758.7	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #14	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3780.6	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #15	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3442.1	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #16	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3518.3	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #17	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3558.2	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #18	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3726.0	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #19	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3537.8	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3516.3	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #20	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3722.5	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #21	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3747.6	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #22	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3505.9	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #23	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3703.4	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #24	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3721.0	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #25	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3727.9	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C	3545.4	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3498.3	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3554.5	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3562.8	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #7	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3778.2	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #8	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3467.2	Semi standard non polar	33892256
Glucosylsphingosine,4TMS,isomer #9	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3544.6	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3493.8	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #10	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3765.8	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #11	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3768.5	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #12	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3538.2	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #13	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3700.1	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #14	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3726.5	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #15	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3726.2	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #16	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3700.6	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N[Si](C)(C)C	3532.5	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3570.8	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3745.1	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3549.0	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3745.6	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #7	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3764.7	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #8	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3528.8	Semi standard non polar	33892256
Glucosylsphingosine,5TMS,isomer #9	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3746.4	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3561.6	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3537.3	Standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N[Si](C)(C)C	3613.0	Standard polar	33892256
Glucosylsphingosine,6TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3745.2	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3622.3	Standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3762.7	Standard polar	33892256
Glucosylsphingosine,6TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3774.2	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3645.7	Standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3802.3	Standard polar	33892256
Glucosylsphingosine,6TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3772.5	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3614.4	Standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3763.1	Standard polar	33892256
Glucosylsphingosine,6TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3759.0	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3602.7	Standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3691.1	Standard polar	33892256
Glucosylsphingosine,6TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3725.8	Semi standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3656.2	Standard non polar	33892256
Glucosylsphingosine,6TMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3851.2	Standard polar	33892256
Glucosylsphingosine,1TBDMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3850.3	Semi standard non polar	33892256
Glucosylsphingosine,1TBDMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3777.4	Semi standard non polar	33892256
Glucosylsphingosine,1TBDMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3748.2	Semi standard non polar	33892256
Glucosylsphingosine,1TBDMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3721.8	Semi standard non polar	33892256
Glucosylsphingosine,1TBDMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3757.6	Semi standard non polar	33892256
Glucosylsphingosine,1TBDMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	3937.0	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4008.7	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #10	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3882.6	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #11	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3897.7	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #12	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	4008.7	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #13	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3902.7	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #14	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N[Si](C)(C)C(C)(C)C	3973.6	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #15	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4016.6	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #16	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4186.4	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3980.6	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3953.0	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3995.7	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	4104.9	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3926.3	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #7	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3907.6	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #8	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3936.6	Semi standard non polar	33892256
Glucosylsphingosine,2TBDMS,isomer #9	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	4028.9	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #1	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4131.2	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #10	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4214.8	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #11	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4436.8	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #12	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4071.6	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #13	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4111.7	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #14	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	4147.4	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #15	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4094.3	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #16	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N[Si](C)(C)C(C)(C)C	4131.8	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #17	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4164.5	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #18	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4390.9	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #19	CCCCCCCCCCCCC/C=C/C(O)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4066.0	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #2	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4117.5	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #20	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N[Si](C)(C)C(C)(C)C	4113.9	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #21	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4137.5	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #22	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4350.6	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #23	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4136.7	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #24	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4318.1	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #25	CCCCCCCCCCCCC/C=C/C(O)C(COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4358.5	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #3	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4157.4	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #4	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(COC1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	4218.4	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #5	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4090.5	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #6	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4113.3	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #7	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(COC1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)N[Si](C)(C)C(C)(C)C	4191.7	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #8	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(N)COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4118.6	Semi standard non polar	33892256
Glucosylsphingosine,3TBDMS,isomer #9	CCCCCCCCCCCCC/C=C/C(O[Si](C)(C)C(C)(C)C)C(COC1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)N[Si](C)(C)C(C)(C)C	4175.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (3 TMS) - 70eV, Positive	splash10-03dr-4645409000-1914c8b2a54800ed1c47	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glucosylsphingosine GC-MS (TMS_3_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosylsphingosine 10V, Positive-QTOF	splash10-03dl-2021900000-6a215943fcc3e19ba343	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosylsphingosine 20V, Positive-QTOF	splash10-01qc-4291300000-c06e85e40c404e5191e7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosylsphingosine 40V, Positive-QTOF	splash10-052f-9121000000-5666c794459e11860813	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosylsphingosine 10V, Negative-QTOF	splash10-03di-0100900000-d4beddbc4284e83d3c8f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosylsphingosine 20V, Negative-QTOF	splash10-03di-5153900000-2613d020983120327519	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glucosylsphingosine 40V, Negative-QTOF	splash10-0a4i-9210000000-785bd99ea12f001e3774	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Adrenal Gland
Bone Marrow
Brain
Epidermis
Fibroblasts
Liver
Neuron
Spleen
Thyroid Gland

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

FDB022135

KNApSAcK ID

Not Available

Chemspider ID

17215974

KEGG Compound ID

C03108

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5574

PubChem Compound

22833534

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

GLUSIDE_HS

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Yamaguchi Y; Sasagasako N; Goto I; Kobayashi T The synthetic pathway for glucosylsphingosine in cultured fibroblasts. Journal of biochemistry (1994), 116(3), 704-10.

Material Safety Data Sheet (MSDS)

Not Available

General References

Kaloterakis A, Filiotou A, Koskinas J, Raptis I, Zouboulis C, Michelakakis H, Hadziyannis S: Systemic AL amyloidosis in Gaucher disease. A case report and review of the literature. J Intern Med. 1999 Dec;246(6):587-90. [PubMed:10620102 ]
Beutler E: Gaucher disease. Blood Rev. 1988 Mar;2(1):59-70. [PubMed:3289655 ]
Kaye EM, Ullman MD, Wilson ER, Barranger JA: Type 2 and type 3 Gaucher disease: a morphological and biochemical study. Ann Neurol. 1986 Aug;20(2):223-30. [PubMed:3752966 ]
Holleran WM, Ginns EI, Menon GK, Grundmann JU, Fartasch M, McKinney CE, Elias PM, Sidransky E: Consequences of beta-glucocerebrosidase deficiency in epidermis. Ultrastructure and permeability barrier alterations in Gaucher disease. J Clin Invest. 1994 Apr;93(4):1756-64. [PubMed:8163674 ]
Conradi NG, Kalimo H, Sourander P: Reactions of vessel walls and brain parenchyma to the accumulation of Gaucher cells in the Norrbottnian type (type III) of Gaucher disease. Acta Neuropathol. 1988;75(4):385-90. [PubMed:3364161 ]
Smith RL, Hutchins GM, Sack GH Jr, Ridolfi RL: Unusual cardiac, renal and pulmonary involvement in Gaucher's disease. Intersitial glucocerebroside accumulation, pulmonary hypertension and fatal bone marrow embolization. Am J Med. 1978 Aug;65(2):352-60. [PubMed:686020 ]
Alessandrini F, Pfister S, Kremmer E, Gerber JK, Ring J, Behrendt H: Alterations of glucosylceramide-beta-glucosidase levels in the skin of patients with psoriasis vulgaris. J Invest Dermatol. 2004 Dec;123(6):1030-6. [PubMed:15610510 ]
Ohashi T: [Gene therapy for Gaucher disease]. Nihon Rinsho. 1995 Dec;53(12):3089-94. [PubMed:8577064 ]
Nishimura RN, Barranger JA: Neurologic complications of Gaucher's disease, type 3. Arch Neurol. 1980 Feb;37(2):92-3. [PubMed:6766716 ]
Eto Y, Ida H: [Molecular studies of Gaucher disease]. Rinsho Byori. 1996 Apr;44(4):327-34. [PubMed:8847814 ]
Naito M, Takahashi K, Hojo H: An ultrastructural and experimental study on the development of tubular structures in the lysosomes of Gaucher cells. Lab Invest. 1988 May;58(5):590-8. [PubMed:3367638 ]
Mariani G, Filocamo M, Giona F, Villa G, Amendola A, Erba P, Buffoni F, Copello F, Pierini A, Minichilli F, Gatti R, Brady RO: Severity of bone marrow involvement in patients with Gaucher's disease evaluated by scintigraphy with 99mTc-sestamibi. J Nucl Med. 2003 Aug;44(8):1253-62. [PubMed:12902415 ]
Soffer D, Yamanaka T, Wenger DA, Suzuki K, Suzuki K: Central nervous system involvement in adult-onset Gaucher's disease. Acta Neuropathol. 1980;49(1):1-6. [PubMed:7355669 ]
Deguchi H, Fernandez JA, Pabinger I, Heit JA, Griffin JH: Plasma glucosylceramide deficiency as potential risk factor for venous thrombosis and modulator of anticoagulant protein C pathway. Blood. 2001 Apr 1;97(7):1907-14. [PubMed:11264150 ]
Ohashi T: [Gaucher disease]. Nihon Rinsho. 1995 Dec;53(12):2943-6. [PubMed:8577040 ]
Starzl TE, Demetris AJ, Trucco M, Ricordi C, Ildstad S, Terasaki PI, Murase N, Kendall RS, Kocova M, Rudert WA, et al.: Chimerism after liver transplantation for type IV glycogen storage disease and type 1 Gaucher's disease. N Engl J Med. 1993 Mar 18;328(11):745-9. [PubMed:8437594 ]
Sillence DJ, Puri V, Marks DL, Butters TD, Dwek RA, Pagano RE, Platt FM: Glucosylceramide modulates membrane traffic along the endocytic pathway. J Lipid Res. 2002 Nov;43(11):1837-45. [PubMed:12401882 ]
Saito M, Saito M, Cooper TB, Vadasz C: Ethanol-induced changes in the content of triglycerides, ceramides, and glucosylceramides in cultured neurons. Alcohol Clin Exp Res. 2005 Aug;29(8):1374-83. [PubMed:16131844 ]
Pilz H, Heipertz R: [Differential diagnosis of congenital lipidoses by lipid analyses of body fluids, biopsy and autopsy tissue]. Fortschr Neurol Psychiatr Grenzgeb. 1975 Nov;43(11):602-17. [PubMed:53174 ]
Nilsson O, Grabowski GA, Ludman MD, Desnick RJ, Svennerholm L: Glycosphingolipid studies of visceral tissues and brain from type 1 Gaucher disease variants. Clin Genet. 1985 May;27(5):443-50. [PubMed:3924448 ]

Only showing the first 10 proteins. There are 42 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Globoside alpha-1,3-N-acetylgalactosaminyltransferase 1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: Catalyzes the formation of some glycolipid via the addition of N-acetylgalactosamine (GalNAc) in alpha-1,3-linkage to some substrate. Glycolipids probably serve for adherence of some pathogens
Gene Name:: GBGT1
Uniprot ID:: Q8N5D6
Molecular weight:: 40126.9

Enzyme Details

2. N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase

General function:: Involved in N-acetylglucosaminylphosphatidylinositol de
Specific function:: Involved in the second step of GPI biosynthesis. De-N-acetylation of N-acetylglucosaminyl-phosphatidylinositol.
Gene Name:: PIGL
Uniprot ID:: Q9Y2B2
Molecular weight:: 28530.965

Enzyme Details

3. Phosphatidylinositol N-acetylglucosaminyltransferase subunit Q

General function:: Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:: Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:: PIGQ
Uniprot ID:: Q9BRB3
Molecular weight:: 65343.25

Enzyme Details

4. Phosphatidylinositol N-acetylglucosaminyltransferase subunit A

General function:: Involved in biosynthetic process
Specific function:: Necessary for the synthesis of N-acetylglucosaminyl-phosphatidylinositol, the very early intermediate in GPI-anchor biosynthesis.
Gene Name:: PIGA
Uniprot ID:: P37287
Molecular weight:: 54126.065

Enzyme Details

5. Phosphatidylinositol N-acetylglucosaminyltransferase subunit H

General function:: Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:: Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:: PIGH
Uniprot ID:: Q14442
Molecular weight:: 21080.415

Enzyme Details

6. Phosphatidylinositol N-acetylglucosaminyltransferase subunit P

General function:: Involved in phosphatidylinositol N-acetylglucosaminyltr
Specific function:: Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:: PIGP
Uniprot ID:: P57054
Molecular weight:: 18089.055

Enzyme Details

7. Phosphatidylinositol N-acetylglucosaminyltransferase subunit C

General function:: Involved in phosphatidylinositol N-acetylglucosaminyltransferase activity
Specific function:: Part of the complex catalyzing the transfer of N-acetylglucosamine from UDP-N-acetylglucosamine to phosphatidylinositol, the first step of GPI biosynthesis.
Gene Name:: PIGC
Uniprot ID:: Q92535
Molecular weight:: 33582.18

Enzyme Details

8. Ganglioside GM2 activator

General function:: Involved in sphingolipid activator protein activity
Specific function:: Binds gangliosides and stimulates ganglioside GM2 degradation. It stimulates only the breakdown of ganglioside GM2 and glycolipid GA2 by beta-hexosaminidase A. It extracts single GM2 molecules from membranes and presents them in soluble form to beta-hexosaminidase A for cleavage of N-acetyl-D-galactosamine and conversion to GM3
Gene Name:: GM2A
Uniprot ID:: P17900
Molecular weight:: 20838.1

Enzyme Details

9. Glucosylceramidase

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GBA
Uniprot ID:: P04062
Molecular weight:: 59715.745

Enzyme Details

10. T-cell surface glycoprotein CD1e, membrane-associated

General function:: Involved in immune response
Specific function:: T-cell surface glycoprotein CD1e, soluble is required for the presentation of glycolipid antigens on the cell surface. The membrane-associated form is not active
Gene Name:: CD1E
Uniprot ID:: P15812
Molecular weight:: 43626.1

Only showing the first 10 proteins. There are 42 proteins in total.

Show all enzymes and transporters

Showing metabocard for Glucosylsphingosine (HMDB0000596)

MOL for HMDB0000596 (Glucosylsphingosine)

3D MOL for HMDB0000596 (Glucosylsphingosine)

3D SDF for HMDB0000596 (Glucosylsphingosine)

3D-SDF for HMDB0000596 (Glucosylsphingosine)

PDB for HMDB0000596 (Glucosylsphingosine)

3D PDB for HMDB0000596 (Glucosylsphingosine)

SMILES for HMDB0000596 (Glucosylsphingosine)

INCHI for HMDB0000596 (Glucosylsphingosine)

Structure for HMDB0000596 (Glucosylsphingosine)

3D Structure for HMDB0000596 (Glucosylsphingosine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes