In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](17:2(9Z,12Z)/27:0)
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-heptacosanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019A57
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1054.648666
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
OKPNCZXCASMMJK-GCGDNNIGSA-N
InChi (Click to copy)
InChI=1S/C53H100O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-47(55)67-45(43-65-46(54)41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2)44-66-71(63,64)69-53-50(58)48(56)49(57)52(51(53)59)68-70(60,61)62/h10,12,16,18,45,48-53,56-59H,3-9,11,13-15,17,19-44H2,1-2H3,(H,63,64)(H2,60,61,62)/b12-10-,18-16-/t45-,48?,49?,50?,51?,52-,53+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O