In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:0/18:2(9E,12E))
Systematic Name
1-hexadecyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AFN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
820.546568
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
GYGWMZYZPZBMRR-PNKFUGSISA-N
InChi (Click to copy)
InChI=1S/C43H81O12P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(44)54-36(34-52-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)35-53-56(50,51)55-43-41(48)39(46)38(45)40(47)42(43)49/h11,13,17,19,36,38-43,45-49H,3-10,12,14-16,18,20-35H2,1-2H3,(H,50,51)/b13-11+,19-17+/t36-,38?,39-,40?,41?,42?,43-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCC