In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMSP02059CL2
Common NameCerP(d20:1(4E)/10:0(2OH[R]))
Systematic NameN-(2R-hydroxydecanoyl)-4E-eicosasphingenine-1-phosphate
SynonymsCerP(d30:1h); CerP(d20:1/10:0h)
Exact Mass
577.4107 (neutral)    Calculate m/z:
FormulaC30H60NO7P
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassCeramide 1-phosphates [SP0205]
PubChem Compound ID (CID)-
InChIKeyIUPURYSXTIZALZ-XOVVVQEXSA-N
InChIInChI=1S/C30H60NO7P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-22-24-28(32)27(26-3
8-39(35,36)37)31-30(34)29(33)25-23-20-10-8-6-4-2/h22,24,27-29,32-33H,3-21,23,25-
26H2,1-2H3,(H,31,34)(H2,35,36,37)/b24-22+/t27-,28+,29+/m0/s1
SMILES[C@](COP(=O)(O)O)([H])(NC([C@H](O)CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)