In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02059AAR
Common NameCerP(d14:0/16:1(9Z))
Systematic NameN-(9Z-hexadecenoyl)-tetradecasphinganine-1-phosphate
Synonyms-
Exact Mass
561.4158 (neutral)    Calculate m/z:
FormulaC30H60NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem Compound ID (CID)-
InChIKeyAQYBCYDHVDHPJO-LONARVHJSA-N
InChIInChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-30(33)31-28(27-37-3
8(34,35)36)29(32)25-23-21-19-17-12-10-8-6-4-2/h13-14,28-29,32H,3-12,15-27H2,1-2H
3,(H,31,33)(H2,34,35,36)/b14-13-/t28-,29+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCC/C=C\CCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)