In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AJX
Common NameCer(d17:0/26:0)
Systematic NameN-(hexacosanoyl)-heptadecasphinganine
Synonyms-
Exact Mass
665.6686 (neutral)    Calculate m/z:
FormulaC43H87NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyJRGFDGSOYUGVQS-ACEXITHZSA-N
InChIInChI=1S/C43H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33
-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,4
5-46H,3-40H2,1-2H3,(H,44,47)/t41-,42+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)