In-Silico Structure Database (LMISSD)
Common Name
PA(15:0/7:1(5E)(4Ke,7OH,7Ke))
Systematic Name
1-pentadecanoyl-2-(4-keto-6-carboxy-5E-hexenoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AM6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
550.254303
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
VEYAUKGEEGVKKD-XEPMYJLFSA-N
InChi (Click to copy)
InChI=1S/C25H43O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24(29)34-19-22(20-35-37(31,32)33)36-25(30)18-16-21(26)15-17-23(27)28/h15,17,22H,2-14,16,18-20H2,1H3,(H,27,28)(H2,31,32,33)/b17-15+/t22-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC(=O)/C=C/C(=O)O)=O)COC(CCCCCCCCCCCCCC)=O