In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/4:1(3E))
Systematic Name
1-pentadecanoyl-2-3E-butenoyl-sn-glycero-3-phosphocholine
LM ID
LMGP20019AM0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
549.343057
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
XUPABAFBIKOGKY-RUZDIDTESA-N
InChi (Click to copy)
InChI=1S/C27H52NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-20-26(29)33-23-25(36-27(30)19-7-2)24-35-37(31,32)34-22-21-28(3,4)5/h7,25H,2,6,8-24H2,1,3-5H3/t25-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CC=C)=O)COC(CCCCCCCCCCCCCC)=O