In-Silico Structure Database (LMISSD)
Common Name
PI(11:0/13:3(5Z,8E,11E)(10OH,13Ke))
Systematic Name
1-undecanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059ACF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
722.327863
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
DSAATOVNPPOOOU-UJLOWUEKSA-N
InChi (Click to copy)
InChI=1S/C33H55O15P/c1-2-3-4-5-6-7-11-14-19-26(36)45-22-25(47-27(37)20-15-12-9-8-10-13-17-24(35)18-16-21-34)23-46-49(43,44)48-33-31(41)29(39)28(38)30(40)32(33)42/h8-9,13,16-18,21,24-25,28-33,35,38-42H,2-7,10-12,14-15,19-20,22-23H2,1H3,(H,43,44)/b9-8-,17-13+,18-16+/t24?,25-,28?,29-,30?,31?,32?,33-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCC)=O