In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029AQR
Common NamePS(O-18:1(9Z)/17:1(9Z))
Systematic Name1-(9Z-octadecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(O-35:2); PS(O-18:1/17:1)
Exact Mass
759.5414 (neutral)    Calculate m/z:
FormulaC41H78NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyKISJOYVPNSUKNA-WVEJCEDTSA-N
InChIInChI=1S/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(3
6-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-
8-6-4-2/h16-19,38-39H,3-15,20-37,42H2,1-2H3,(H,44,45)(H,46,47)/b18-16-,19-17-/t3
8-,39+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)COCCCCCCCC/C=C\CC
CCCCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)