In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/8:1(6E)(5OH,8OH,8Ke))
Systematic Name
1-pentadecanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ANE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
651.374752
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
FPDAVNAADYLGMW-FIYAOEPNSA-N
InChi (Click to copy)
InChI=1S/C31H58NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)40-25-28(26-42-44(38,39)41-24-23-32(2,3)4)43-31(37)20-17-18-27(33)21-22-29(34)35/h21-22,27-28,33H,5-20,23-26H2,1-4H3,(H-,34,35,38,39)/b22-21+/t27?,28-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCC)=O