In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP05019AAZ
Common NameGlcCer(d14:0/18:2(6Z,9Z))
Systematic NameN-(6Z,9Z-octadecadienoyl)-1-β-glucosyl-tetradecasphinganine
Synonyms-
Exact Mass
669.5180 (neutral)    Calculate m/z:
FormulaC38H71NO8
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem Compound ID (CID)-
InChIKeyIVBHQNHJOHXAIC-UNPLRWGMSA-N
InChIInChI=1S/C38H71NO8/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/h15-1
6,18,20,31-33,35-38,40-41,43-45H,3-14,17,19,21-30H2,1-2H3,(H,39,42)/b16-15-,20-1
8-/t31-,32+,33+,35+,36?,37?,38+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCC/C=C\C/C=C\CCCCCCCC)=O)[C@
]([H])(O)CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)