In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(9Z)/14:0)
Systematic Name
1-(9Z-docosenyl)-2-tetradecanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029A8Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
775.572722
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
GOSZUDZMJDDOMK-UAIGMCLPSA-N
InChi (Click to copy)
InChI=1S/C42H82NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-49-36-39(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/h20-21,39-40H,3-19,22-38,43H2,1-2H3,(H,45,46)(H,47,48)/b21-20-/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC)(=O)O