In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP05019AAD
Common NameGlcCer(d14:0/13:0)
Systematic NameN-(tridecanoyl)-1-β-glucosyl-tetradecasphinganine
Synonyms-
Exact Mass
603.4710 (neutral)    Calculate m/z:
FormulaC33H65NO8
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem Compound ID (CID)-
InChIKeyJPKOBHUVBHPTTM-BQYPIBTMSA-N
InChIInChI=1S/C33H65NO8/c1-3-5-7-9-11-13-15-17-19-21-23-29(37)34-26(27(36)22-20-18-16
-14-12-10-8-6-4-2)25-41-33-32(40)31(39)30(38)28(24-35)42-33/h26-28,30-33,35-36,3
8-40H,3-25H2,1-2H3,(H,34,37)/t26-,27+,28+,30+,31?,32?,33+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CC
CCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)