In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](17:1(9Z)/37:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-heptatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A36
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1356.753482
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
ACOVLFRKFQUGKF-IDGDGELVSA-N
InChi (Click to copy)
InChI=1S/C63H124O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-57(65)81-55(53-79-56(64)51-49-47-45-43-41-39-18-16-14-12-10-8-6-4-2)54-80-89(77,78)85-60-58(66)61(82-86(68,69)70)63(84-88(74,75)76)62(59(60)67)83-87(71,72)73/h16,18,55,58-63,66-67H,3-15,17,19-54H2,1-2H3,(H,77,78)(H2,68,69,70)(H2,71,72,73)(H2,74,75,76)/b18-16-/t55-,58?,59?,60-,61+,62?,63?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCCCCC)=O