In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20049AB0
Common NamePS(10:0/8:1(6E)(5Ke,8OH,8Ke))
Systematic Name1-decanoyl-2-(5-keto-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(18:1(OH,Ke2)); PS(10:0/8:1(OH,Ke2))
Exact Mass
581.2237 (neutral)    Calculate m/z:
FormulaC24H40NO13P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoserines [GP2004]
PubChem Compound ID (CID)-
InChIKeyLLNOBPWPKCCUAV-ICSRWYNCSA-N
InChIInChI=1S/C24H40NO13P/c1-2-3-4-5-6-7-8-11-22(29)35-15-19(16-36-39(33,34)37-17-20(
25)24(31)32)38-23(30)12-9-10-18(26)13-14-21(27)28/h13-14,19-20H,2-12,15-17,25H2,
1H3,(H,27,28)(H,31,32)(H,33,34)/b14-13+/t19-,20+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O)
(=O)O
MS Spectra-     
StatusActive (generated by computational methods)