In-Silico Structure Database (LMISSD)
Common Name
PA(38:0/18:2(9Z,15Z)(12OH[S]))
Systematic Name
1-octatriacontanoyl-2-(12S-HODE)-sn-glycero-3-phosphate
LM ID
LMGP20079EJT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
996.812223
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
OMHYPIXSLSAIGM-VIIVOWQWSA-N
InChi (Click to copy)
InChI=1S/C59H113O9P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-41-44-48-52-58(61)66-54-57(55-67-69(63,64)65)68-59(62)53-49-45-42-39-38-40-43-47-51-56(60)50-46-8-6-4-2/h6,8,43,47,56-57,60H,3-5,7,9-42,44-46,48-55H2,1-2H3,(H2,63,64,65)/b8-6-,47-43-/t56-,57+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O