In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029A8Y
Common NamePS(O-22:1(9Z)/13:0)
Systematic Name1-(9Z-docosenyl)-2-tridecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(O-35:1); PS(O-22:1/13:0)
Exact Mass
761.5571 (neutral)    Calculate m/z:
FormulaC41H80NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyQZHZMNQOWVGEHP-RZPRPBTASA-N
InChIInChI=1S/C41H80NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-3
4-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-14-12-10-
8-6-4-2/h20-21,38-39H,3-19,22-37,42H2,1-2H3,(H,44,45)(H,46,47)/b21-20-/t38-,39+/
m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCC
CCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)