In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:1(11Z)/26:2(5E,9Z))
Systematic Name
1-(11Z-eicosenyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AWW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
986.718718
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
TVHPIKYSUWILQM-BRPANXRTSA-N
InChi (Click to copy)
InChI=1S/C55H103O12P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-49(56)66-48(47-65-68(62,63)67-55-53(60)51(58)50(57)52(59)54(55)61)46-64-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h18,20,28,30,36,38,48,50-55,57-61H,3-17,19,21-27,29,31-35,37,39-47H2,1-2H3,(H,62,63)/b20-18-,30-28-,38-36+/t48-,50?,51-,52?,53?,54?,55-/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)COCCCCCCCCCC/C=C\CCCCCCCC