In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/7:1(5E)(4Ke,7Ke))
Systematic Name
1-pentadecanoyl-2-(4,7-dioxo-5E-heptenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AM5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
619.348537
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
GUJKVWWANWVNMD-GHUONELISA-N
InChi (Click to copy)
InChI=1S/C30H54NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-29(34)38-25-28(41-30(35)21-20-27(33)18-17-23-32)26-40-42(36,37)39-24-22-31(2,3)4/h17-18,23,28H,5-16,19-22,24-26H2,1-4H3/b18-17+/t28-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(=O)/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O