In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](27:0/18:2(2E,4E))
Systematic Name
1-heptacosanoyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019ESC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1068.664316
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
WGUKMRWBKNJHNA-KTHNUWNXSA-N
InChi (Click to copy)
InChI=1S/C54H102O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-29-30-32-34-36-38-40-42-47(55)66-44-46(68-48(56)43-41-39-37-35-33-31-28-18-16-14-12-10-8-6-4-2)45-67-72(64,65)70-54-51(59)49(57)50(58)53(52(54)60)69-71(61,62)63/h37,39,41,43,46,49-54,57-60H,3-36,38,40,42,44-45H2,1-2H3,(H,64,65)(H2,61,62,63)/b39-37+,43-41+/t46-,49?,50?,51?,52?,53-,54+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O