In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029ANO
Common NameCer(d19:0/15:1(9Z))
Systematic NameN-(9Z-pentadecenoyl)-nonadecasphinganine
Synonyms-
Exact Mass
537.5121 (neutral)    Calculate m/z:
FormulaC34H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyJPTHBKUIEDFOQU-MAIXLJATSA-N
InChIInChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33(37)32(31-36)35
-34(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h12,14,32-33,36-37H,3-11,13,15-31H2
,1-2H3,(H,35,38)/b14-12-/t32-,33+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCC/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)