In-Silico Structure Database (LMISSD)
Common Name
PI(O-18:0/11:0)
Systematic Name
1-octadecyl-2-undecanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029ALU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
754.499618
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
WIAWLSSUODSPNV-IIEIGQBVSA-N
InChi (Click to copy)
InChI=1S/C38H75O12P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-47-29-31(49-32(39)27-25-23-21-12-10-8-6-4-2)30-48-51(45,46)50-38-36(43)34(41)33(40)35(42)37(38)44/h31,33-38,40-44H,3-30H2,1-2H3,(H,45,46)/t31-,33?,34-,35?,36?,37?,38-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCC