In-Silico Structure Database (LMISSD)
Common Name
PA(10:0/18:2(9Z,15Z)(12OH[S]))
Systematic Name
1-decanoyl-2-(12S-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079AAT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
604.374023
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
UISVKRAXHQAAQV-NVDNQBKKSA-N
InChi (Click to copy)
InChI=1S/C31H57O9P/c1-3-5-7-9-12-16-20-24-30(33)38-26-29(27-39-41(35,36)37)40-31(34)25-21-17-14-11-10-13-15-19-23-28(32)22-18-8-6-4-2/h6,8,15,19,28-29,32H,3-5,7,9-14,16-18,20-27H2,1-2H3,(H2,35,36,37)/b8-6-,19-15-/t28-,29+/m0/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC/C=C\C[C@@H](O)CC/C=C\CC)=O)COC(CCCCCCCCC)=O