In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03039DDR
Common NamePS(P-14:0/17:1(9Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(P-31:1); PS(P-14:0/17:1)
Exact Mass
703.4788 (neutral)    Calculate m/z:
FormulaC37H70NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
PubChem Compound ID (CID)-
InChIKeyADPOGKGJYYQJKI-OVSDEHCOSA-N
InChIInChI=1S/C37H70NO9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-36(39)47-34(32-4
5-48(42,43)46-33-35(38)37(40)41)31-44-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h15,
17,28,30,34-35H,3-14,16,18-27,29,31-33,38H2,1-2H3,(H,40,41)(H,42,43)/b17-15-,30-
28-/t34-,35+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCCCC
CC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)