In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/4:1(3E))
Systematic Name
1-pentadecanoyl-2-3E-butenoyl-sn-glycero-3-phosphoserine
LM ID
LMGP20049AM0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
551.285937
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
RQQSWQFEXZGMAK-YADHBBJMSA-N
InChi (Click to copy)
InChI=1S/C25H46NO10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-23(27)33-18-21(36-24(28)16-4-2)19-34-37(31,32)35-20-22(26)25(29)30/h4,21-22H,2-3,5-20,26H2,1H3,(H,29,30)(H,31,32)/t21-,22+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC=C)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O