In-Silico Structure Database (LMISSD)
Common Name
PI(13:0/25:0)
Systematic Name
1-tridecanoyl-2-pentacosanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06019AIZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
894.619733
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Diacylglycerophosphoinositols [GP0601]
String Representations
InChiKey (Click to copy)
XWBZFTBULCHDJW-OXRHWTJRSA-N
InChi (Click to copy)
InChI=1S/C47H91O13P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-41(49)59-39(37-57-40(48)35-33-31-29-27-14-12-10-8-6-4-2)38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54/h39,42-47,50-54H,3-38H2,1-2H3,(H,55,56)/t39-,42?,43-,44?,45?,46?,47-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCCCCCCCCC)=O