In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02059AAH
Common NameCerP(d14:0/13:0)
Systematic NameN-(tridecanoyl)-tetradecasphinganine-1-phosphate
Synonyms-
Exact Mass
521.3845 (neutral)    Calculate m/z:
FormulaC27H56NO6P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem Compound ID (CID)-
InChIKeyWNIDTTACWWEQFU-IZZNHLLZSA-N
InChIInChI=1S/C27H56NO6P/c1-3-5-7-9-11-13-15-17-19-21-23-27(30)28-25(24-34-35(31,32)3
3)26(29)22-20-18-16-14-12-10-8-6-4-2/h25-26,29H,3-24H2,1-2H3,(H,28,30)(H2,31,32,
33)/t25-,26+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC(CCCCCCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)