In-Silico Structure Database (LMISSD)
Common Name
PA(10:0/13:3(5Z,8E,11E)(10OH,13Ke))
Systematic Name
1-decanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AAJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
546.259388
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
WMILFTXCLVUOEV-CMSPNZOCSA-N
InChi (Click to copy)
InChI=1S/C26H43O10P/c1-2-3-4-5-6-10-13-18-25(29)34-21-24(22-35-37(31,32)33)36-26(30)19-14-11-8-7-9-12-16-23(28)17-15-20-27/h7-8,12,15-17,20,23-24,28H,2-6,9-11,13-14,18-19,21-22H2,1H3,(H2,31,32,33)/b8-7-,16-12+,17-15+/t23?,24-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O