In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019ACW
Common NamePS(11:0/17:0)
Systematic Name1-undecanoyl-2-heptadecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(28:0); PS(11:0_17:0)
Exact Mass
679.4424 (neutral)    Calculate m/z:
FormulaC34H66NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyQOZMZTCTLJAKQF-JSOSNVBQSA-N
InChIInChI=1S/C34H66NO10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-33(37)45-30(28-
43-46(40,41)44-29-31(35)34(38)39)27-42-32(36)25-23-21-19-12-10-8-6-4-2/h30-31H,3
-29,35H2,1-2H3,(H,38,39)(H,40,41)/t30-,31+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O)(=
O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)