In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/12:0(9Ke,12Ke))
Systematic Name
1-pentadecanoyl-2-(9,12-dioxodecanoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079ALO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
606.353288
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
XLQFLSOMOTUDLY-MUUNZHRXSA-N
InChi (Click to copy)
InChI=1S/C30H55O10P/c1-2-3-4-5-6-7-8-9-10-11-14-17-22-29(33)38-25-28(26-39-41(35,36)37)40-30(34)23-18-15-12-13-16-20-27(32)21-19-24-31/h24,28H,2-23,25-26H2,1H3,(H2,35,36,37)/t28-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCCC(=O)CCC=O)=O)COC(CCCCCCCCCCCCCC)=O