In-Silico Structure Database (LMISSD)
Common Name
PC(15:0/8:1(6E)(5OH,8Ke))
Systematic Name
1-pentadecanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphocholine
LM ID
LMGP20019AND
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
635.379837
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphocholines [GP2001]
String Representations
InChiKey (Click to copy)
TXUCFQSXLPJHHH-VNPHGQAGSA-N
InChi (Click to copy)
InChI=1S/C31H58NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-30(35)39-26-29(27-41-43(37,38)40-25-23-32(2,3)4)42-31(36)22-17-19-28(34)20-18-24-33/h18,20,24,28-29,34H,5-17,19,21-23,25-27H2,1-4H3/b20-18+/t28?,29-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O