In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019AE5
Common NamePS(12:0/16:1(7Z))
Systematic Name1-dodecanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(28:1); PS(12:0_16:1)
Exact Mass
677.4268 (neutral)    Calculate m/z:
FormulaC34H64NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyCNSPBGRNCPAJPF-XGQMYZISSA-N
InChIInChI=1S/C34H64NO10P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-26-33(37)45-30(28-43-
46(40,41)44-29-31(35)34(38)39)27-42-32(36)25-23-21-19-17-12-10-8-6-4-2/h15-16,30
-31H,3-14,17-29,35H2,1-2H3,(H,38,39)(H,40,41)/b16-15-/t30-,31+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCC)=O
)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)