In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02059AA0
Common NameCerP(d14:0/18:1(13Z))
Systematic NameN-(13Z-octadecenoyl)-tetradecasphinganine-1-phosphate
Synonyms-
Exact Mass
589.4471 (neutral)    Calculate m/z:
FormulaC32H64NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem Compound ID (CID)-
InChIKeyQNPDNRGEWDQRBZ-XXFKESNDSA-N
InChIInChI=1S/C32H64NO6P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-32(35)33-30(2
9-39-40(36,37)38)31(34)27-25-23-21-19-12-10-8-6-4-2/h9,11,30-31,34H,3-8,10,12-29
H2,1-2H3,(H,33,35)(H2,36,37,38)/b11-9-/t30-,31+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCC/C=C\CCCC)=O)[C@]([H])(O)CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)