In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(11Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(11Z-docosenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029A8B
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
907.666622
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
RPSFDOZBYRUZNY-XHMZMAHTSA-N
InChi (Click to copy)
InChI=1S/C52H94NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-51(54)62-49(47-60-63(57,58)61-48-50(53)52(55)56)46-59-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h19,21-22,24-26,30,32,36,38,49-50H,3-18,20,23,27-29,31,33-35,37,39-48,53H2,1-2H3,(H,55,56)(H,57,58)/b21-19-,24-22-,26-25-,32-30-,38-36-/t49-,50+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCCCC)(=O)O