In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](38:0/18:2(2E,4E))
Systematic Name
1-octatriacontanoyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019FHP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1222.836466
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
RFMFSPGYVDKCIH-GXIKJCAPSA-N
InChi (Click to copy)
InChI=1S/C65H124O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-41-43-45-47-49-51-53-58(66)77-55-57(79-59(67)54-52-50-48-46-44-42-39-18-16-14-12-10-8-6-4-2)56-78-83(75,76)81-65-62(70)60(68)61(69)64(63(65)71)80-82(72,73)74/h48,50,52,54,57,60-65,68-71H,3-47,49,51,53,55-56H2,1-2H3,(H,75,76)(H2,72,73,74)/b50-48+,54-52+/t57-,60?,61?,62?,63?,64-,65+/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O