In-Silico Structure Database (LMISSD)
Common Name
PS(P-20:1(11Z)/17:1(9Z))
Systematic Name
1-(1Z,11Z-eicosadienyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AQR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
785.557072
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
WAEGLEHMHXUCGK-AYGYWGBJSA-N
InChi (Click to copy)
InChI=1S/C43H80NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-50-37-40(38-51-54(48,49)52-39-41(44)43(46)47)53-42(45)35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h16-19,34,36,40-41H,3-15,20-33,35,37-39,44H2,1-2H3,(H,46,47)(H,48,49)/b18-16-,19-17-,36-34-/t40-,41+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCC)(=O)O