In-Silico Structure Database (LMISSD)

H NH O O OH H O OH HO OH OH
Common Name
GlcCer(d14:0/18:1(7Z))
Systematic Name
N-(7Z-octadecenoyl)-1-β-glucosyl-tetradecasphinganine
LM ID
LMSP05019AAV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
671.533619
Formula
C38H73NO8
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MDLMOL SDF CSV TSV PNG
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Main

Classification

Category
Main Class
Sub Class
Sphingolipids [SP]
Neutral glycosphingolipids [SP05]
Simple Glc series [SP0501]

String Representations

InChiKey (Click to copy)
HNTXWOIKYKKIFE-QUQREKBQSA-N
InChi (Click to copy)
InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-34(42)39-31(32(41)27-25-23-21-19-12-10-8-6-4-2)30-46-38-37(45)36(44)35(43)33(29-40)47-38/h17-18,31-33,35-38,40-41,43-45H,3-16,19-30H2,1-2H3,(H,39,42)/b18-17-/t31-,32+,33+,35+,36?,37?,38+/m0/s1
SMILES (Click to copy)
[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCC/C=C\CCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC

References

Other Databases