In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP05019AAH
Common NameGlcCer(d14:0/15:1(9Z))
Systematic NameN-(9Z-pentadecenoyl)-1-β-glucosyl-tetradecasphinganine
Synonyms-
Exact Mass
629.4867 (neutral)    Calculate m/z:
FormulaC35H67NO8
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem Compound ID (CID)-
InChIKeyIDQFUMWCNZGTHG-QYDSRTFHSA-N
InChIInChI=1S/C35H67NO8/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-31(39)36-28(29(38)24-22
-20-18-16-12-10-8-6-4-2)27-43-35-34(42)33(41)32(40)30(26-37)44-35/h11,13,28-30,3
2-35,37-38,40-42H,3-10,12,14-27H2,1-2H3,(H,36,39)/b13-11-/t28-,29+,30+,32+,33?,3
4?,35+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCC/C=C\CCCCC)=O)[C@]([H])
(O)CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)