In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](11:0/32:0)
Systematic Name
1-undecanoyl-2-dotriacontanoyl-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AEO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1044.664316
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
FCWFQPPWKRZYSB-IDQPMKRNSA-N
InChi (Click to copy)
InChI=1S/C52H102O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-46(54)66-44(42-64-45(53)40-38-36-34-12-10-8-6-4-2)43-65-70(62,63)68-52-49(57)47(55)48(56)51(50(52)58)67-69(59,60)61/h44,47-52,55-58H,3-43H2,1-2H3,(H,62,63)(H2,59,60,61)/t44-,47?,48?,49?,50?,51-,52+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCC)=O