In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/8:0(8OH,8Ke))
Systematic Name
1-pentadecanoyl-2-(8-Carboxy-heptanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ANA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
637.395487
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
YIXRIZOLBFONOP-MUUNZHRXSA-N
InChi (Click to copy)
InChI=1S/C31H60NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-30(35)39-26-28(27-41-43(37,38)40-25-24-32(2,3)4)42-31(36)23-20-17-16-18-21-29(33)34/h28H,5-27H2,1-4H3,(H-,33,34,37,38)/t28-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(=O)O)=O)COC(CCCCCCCCCCCCCC)=O