In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02059ABU
Common NameCerP(d14:0/20:3(8Z,11Z,14Z))
Systematic NameN-(8Z,11Z,14Z-eicosatrienoyl)-tetradecasphinganine-1-phosphate
Synonyms-
Exact Mass
613.4471 (neutral)    Calculate m/z:
FormulaC34H64NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem Compound ID (CID)-
InChIKeyWJSONEYJHFCPEH-CZWLUONGSA-N
InChIInChI=1S/C34H64NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-34(37)3
5-32(31-41-42(38,39)40)33(36)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-19,32-
33,36H,3-10,12,14,17,20-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b13-11-,16-15-,19-18-/
t32-,33+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[C@]([H])(O)CCCCCCCCCC
C
MS Spectra-     
StatusActive (generated by computational methods)