In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029ACE
Common NameCer(d15:0/18:0)
Systematic NameN-(octadecanoyl)-pentadecasphinganine
Synonyms-
Exact Mass
525.5121 (neutral)    Calculate m/z:
FormulaC33H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyKYHNTVWTEMHTIX-AJQTZOPKSA-N
InChIInChI=1S/C33H67NO3/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-33(37)34-31(30
-35)32(36)28-26-24-22-20-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t
31-,32+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)