In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019ABI
Common NamePS(10:0/20:4(5E,8E,11E,14E))
Systematic Name1-decanoyl-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(30:4); PS(10:0_20:4)
Exact Mass
699.4111 (neutral)    Calculate m/z:
FormulaC36H62NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeySSIDUOJWNCJWGG-VAMCZUOBSA-N
InChIInChI=1S/C36H62NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-35(39)
47-32(30-45-48(42,43)46-31-33(37)36(40)41)29-44-34(38)27-25-23-21-10-8-6-4-2/h11
-12,14-15,17-18,20,22,32-33H,3-10,13,16,19,21,23-31,37H2,1-2H3,(H,40,41)(H,42,43
)/b12-11+,15-14+,18-17+,22-20+/t32-,33+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)COC(C
CCCCCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)