In-Silico Structure Database (LMISSD)
Common Name
PS(P-18:0/20:1(13Z))
Systematic Name
1-(1Z-octadecenyl)-2-(13Z-eicosenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AIA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
801.588372
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
XSORHZDOBQOVAF-LIDGUNTMSA-N
InChi (Click to copy)
InChI=1S/C44H84NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(46)54-41(39-52-55(49,50)53-40-42(45)44(47)48)38-51-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h13,15,35,37,41-42H,3-12,14,16-34,36,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b15-13-,37-35-/t41-,42+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC)(=O)O