In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019AA2
Common NamePS(10:0/18:2(9Z,11Z))
Systematic Name1-decanoyl-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(28:2); PS(10:0_18:2)
Exact Mass
675.4111 (neutral)    Calculate m/z:
FormulaC34H62NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyGRAVOFJNHRXCNM-QAPRRZBWSA-N
InChIInChI=1S/C34H62NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-33(37)45-30(
28-43-46(40,41)44-29-31(35)34(38)39)27-42-32(36)25-23-21-19-10-8-6-4-2/h12-15,30
-31H,3-11,16-29,35H2,1-2H3,(H,38,39)(H,40,41)/b13-12-,15-14-/t30-,31+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)COC(CCCCCCCCC)
=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)