In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP05019ACL
Common NameGlcCer(t14:0/10:0)
Systematic NameN-(decanoyl)-1-β-glucosyl-4R-hydroxytetradecasphinganine
Synonyms-
Exact Mass
577.4190 (neutral)    Calculate m/z:
FormulaC30H59NO9
CategorySphingolipids [SP]
Main ClassNeutral glycosphingolipids [SP05]
Sub ClassSimple Glc series [SP0501]
PubChem Compound ID (CID)-
InChIKeyYZGANJZAGYUMDC-HXXVKUOJSA-N
InChIInChI=1S/C30H59NO9/c1-3-5-7-9-11-13-14-16-18-23(33)26(35)22(31-25(34)19-17-15-12
-10-8-6-4-2)21-39-30-29(38)28(37)27(36)24(20-32)40-30/h22-24,26-30,32-33,35-38H,
3-21H2,1-2H3,(H,31,34)/t22-,23+,24+,26-,27+,28?,29?,30+/m0/s1
SMILES[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)C(O)C1O)([H])(NC(CCCCCCCCC)=O)[C@]([H])(O)[C@@H
](CCCCCCCCCC)O
MS Spectra-     
StatusActive (generated by computational methods)