In-Silico Structure Database (LMISSD)
Common Name
PI(17:2(9Z,12Z)/26:2(5Z,9Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06019A56
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.635383
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
DDRHWVSWAVUEHN-YPVIDOIFSA-N
InChi (Click to copy)
InChI=1S/C52H93O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-46(54)64-44(43-63-66(60,61)65-52-50(58)48(56)47(55)49(57)51(52)59)42-62-45(53)40-38-36-34-32-30-28-18-16-14-12-10-8-6-4-2/h10,12,16,18,26-27,33,35,44,47-52,55-59H,3-9,11,13-15,17,19-25,28-32,34,36-43H2,1-2H3,(H,60,61)/b12-10-,18-16-,27-26-,35-33-/t44-,47?,48-,49?,50?,51?,52-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O