In-Silico Structure Database (LMISSD)
Common Name
PI(15:0/13:3(5Z,8E,11E)(10OH,13Ke))
Systematic Name
1-pentadecanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP20059ALV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
778.390463
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
OLGWIZWVVBOLPD-DCMBDWTCSA-N
InChi (Click to copy)
InChI=1S/C37H63O15P/c1-2-3-4-5-6-7-8-9-10-11-15-18-23-30(40)49-26-29(51-31(41)24-19-16-13-12-14-17-21-28(39)22-20-25-38)27-50-53(47,48)52-37-35(45)33(43)32(42)34(44)36(37)46/h12-13,17,20-22,25,28-29,32-37,39,42-46H,2-11,14-16,18-19,23-24,26-27H2,1H3,(H,47,48)/b13-12-,21-17+,22-20+/t28?,29-,32?,33-,34?,35?,36?,37-/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(CCCCCCCCCCCCCC)=O