In-Silico Structure Database (LMISSD)
Common Name
PI(15:1(9Z)/4:1(3E))
Systematic Name
1-(9Z-pentadecenoyl)-2-3E-butenoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP20059AOW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
624.291083
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoinositols [GP2005]
String Representations
InChiKey (Click to copy)
WWMCPTXBQPYGSB-OVUAXDQISA-N
InChi (Click to copy)
InChI=1S/C28H49O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-21(29)38-18-20(40-22(30)16-4-2)19-39-42(36,37)41-28-26(34)24(32)23(31)25(33)27(28)35/h4,8-9,20,23-28,31-35H,2-3,5-7,10-19H2,1H3,(H,36,37)/b9-8-/t20-,23?,24-,25?,26?,27?,28-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC=C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\CCCCC)=O