In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/7:1(5E)(4OH,7OH,7Ke))
Systematic Name
1-pentadecanoyl-2-(4-hydroxy-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AM8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
637.359102
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
YNVAOBNUMPTRLF-SIZAAYNESA-N
InChi (Click to copy)
InChI=1S/C30H56NO11P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-29(35)39-24-27(25-41-43(37,38)40-23-22-31(2,3)4)42-30(36)21-19-26(32)18-20-28(33)34/h18,20,26-27,32H,5-17,19,21-25H2,1-4H3,(H-,33,34,37,38)/b20-18+/t26?,27-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCC)=O