In-Silico Structure Database (LMISSD)
Common Name
PI(O-20:0/18:1(9E))
Systematic Name
1-eicosyl-2-(9E-octadecenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029ATC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
878.624818
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
JGCMKVGWJYLOKT-KUCZPWBASA-N
InChi (Click to copy)
InChI=1S/C47H91O12P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-56-38-40(39-57-60(54,55)59-47-45(52)43(50)42(49)44(51)46(47)53)58-41(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22,40,42-47,49-53H,3-17,19-21,23-39H2,1-2H3,(H,54,55)/b22-18+/t40-,42?,43-,44?,45?,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCC