In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02029AV2
Common NameCer(d22:0/11:0)
Systematic NameN-(undecanoyl)-docosasphinganine
Synonyms-
Exact Mass
525.5121 (neutral)    Calculate m/z:
FormulaC33H67NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem Compound ID (CID)-
InChIKeyYMEGPHBSZWVGKU-AJQTZOPKSA-N
InChIInChI=1S/C33H67NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-32(36)31
(30-35)34-33(37)29-27-25-23-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,34,37)/t
31-,32+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum ([M-H]-)
StatusActive (generated by computational methods)