In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029A6O
Common NamePS(O-22:1(11Z)/14:0)
Systematic Name1-(11Z-docosenyl)-2-tetradecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(O-36:1); PS(O-22:1/14:0)
Exact Mass
775.5727 (neutral)    Calculate m/z:
FormulaC42H82NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyLKCQFKVYUFKYJG-RIGHMVNESA-N
InChIInChI=1S/C42H82NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-3
5-49-36-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-14-12-
10-8-6-4-2/h18-19,39-40H,3-17,20-38,43H2,1-2H3,(H,45,46)(H,47,48)/b19-18-/t39-,4
0+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC
CCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)