In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](25:0/18:1(11E))
Systematic Name
1-pentacosanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019O0Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1042.648666
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
YRHXZCGLPSLXDU-JRJLOXEPSA-N
InChi (Click to copy)
InChI=1S/C52H100O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-28-30-32-34-36-38-40-45(53)64-42-44(66-46(54)41-39-37-35-33-31-29-26-18-16-14-12-10-8-6-4-2)43-65-70(62,63)68-52-49(57)47(55)48(56)51(50(52)58)67-69(59,60)61/h14,16,44,47-52,55-58H,3-13,15,17-43H2,1-2H3,(H,62,63)(H2,59,60,61)/b16-14+/t44-,47-,48?,49?,50?,51?,52-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O