In-Silico Structure Database (LMISSD)
Common Name
PC(16:1(7Z)/8:0(8Ke))
Systematic Name
1-(7Z-hexadecenoyl)-2-(8-Oxo-octanoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019ASX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
633.400572
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
QXYUVSKXLQYNSD-DLRORBIYSA-N
InChi (Click to copy)
InChI=1S/C32H60NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-23-31(35)39-28-30(42-32(36)24-21-18-16-19-22-26-34)29-41-43(37,38)40-27-25-33(2,3)4/h12-13,26,30H,5-11,14-25,27-29H2,1-4H3/b13-12-/t30-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC=O)=O)COC(CCCCC/C=C\CCCCCCCC)=O