In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP05019ACN
Common NameGlcCer(t14:0/12:0)
Systematic NameN-(dodecanoyl)-1-β-glucosyl-4R-hydroxytetradecasphinganine
Synonyms-
Exact Mass
605.4503 (neutral)    Calculate m/z:
FormulaC32H63NO9
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem Compound ID (CID)-
InChIKeyCMRROVLGPTZITP-KFZMTJFMSA-N
InChIInChI=1S/C32H63NO9/c1-3-5-7-9-11-13-15-17-19-21-27(36)33-24(23-41-32-31(40)30(39
)29(38)26(22-34)42-32)28(37)25(35)20-18-16-14-12-10-8-6-4-2/h24-26,28-32,34-35,3
7-40H,3-23H2,1-2H3,(H,33,36)/t24-,25+,26+,28-,29+,30?,31?,32+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCCCC)=O)[C@]([H])(O)[C@
@H](CCCCCCCCCC)O
MS Spectra-     
StatusActive (generated by computational methods)