In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](36:0/31:0)
Systematic Name
1-hexatriacontanoyl-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FEH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1540.972582
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
DWICGGSUJUPULJ-CTMQXXGISA-N
InChi (Click to copy)
InChI=1S/C76H152O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-37-39-40-42-44-46-48-50-52-54-56-58-60-62-64-69(77)92-66-68(67-93-102(90,91)98-73-71(79)74(95-99(81,82)83)76(97-101(87,88)89)75(72(73)80)96-100(84,85)86)94-70(78)65-63-61-59-57-55-53-51-49-47-45-43-41-38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h68,71-76,79-80H,3-67H2,1-2H3,(H,90,91)(H2,81,82,83)(H2,84,85,86)(H2,87,88,89)/t68-,71?,72?,73-,74+,75?,76?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O