In-Silico Structure Database (LMISSD)
Common Name
PI(O-16:1(9Z)/35:0)
Systematic Name
1-(9Z-hexadecenyl)-2-pentatriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029ALO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1060.828268
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
VWXTZVFWZMKIEE-NQPBDYOISA-N
InChi (Click to copy)
InChI=1S/C60H117O12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-54(61)71-53(51-69-50-48-46-44-42-40-38-18-16-14-12-10-8-6-4-2)52-70-73(67,68)72-60-58(65)56(63)55(62)57(64)59(60)66/h14,16,53,55-60,62-66H,3-13,15,17-52H2,1-2H3,(H,67,68)/b16-14-/t53-,55?,56-,57?,58?,59?,60-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCC