In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02059ABV
Common NameCerP(d14:0/20:4(5E,8E,11E,14E))
Systematic NameN-(5E,8E,11E,14E-eicosatetraenoyl)-tetradecasphinganine-1-phosphate
Synonyms-
Exact Mass
611.4315 (neutral)    Calculate m/z:
FormulaC34H62NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem Compound ID (CID)-
InChIKeyMQVQBLBWDSTBKO-WCFWYICVSA-N
InChIInChI=1S/C34H62NO6P/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/h11,13,15-16,18-19,22,
24,32-33,36H,3-10,12,14,17,20-21,23,25-31H2,1-2H3,(H,35,37)(H2,38,39,40)/b13-11+
,16-15+,19-18+,24-22+/t32-,33+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)[C@]([H])(O)CCCCCCC
CCCC
MS Spectra-     
StatusActive (generated by computational methods)