In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019AA6
Common NamePS(10:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name1-decanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(28:4); PS(10:0_18:4)
Exact Mass
671.3798 (neutral)    Calculate m/z:
FormulaC34H58NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyMCUUYMRLCRTULY-CGGVPYKXSA-N
InChIInChI=1S/C34H58NO10P/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/h5,7,11-1
2,14-15,17-18,30-31H,3-4,6,8-10,13,16,19-29,35H2,1-2H3,(H,38,39)(H,40,41)/b7-5-,
12-11-,15-14-,18-17-/t30-,31+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCC
CCCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)