In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](38:0/36:0)
Systematic Name
1-octatriacontanoyl-2-hexatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019FI8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1639.082132
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
HSJBZWPKAJNHIQ-IBKPUGGOSA-N
InChi (Click to copy)
InChI=1S/C83H166O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-40-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-76(84)99-73-75(74-100-109(97,98)105-80-78(86)81(102-106(88,89)90)83(104-108(94,95)96)82(79(80)87)103-107(91,92)93)101-77(85)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75,78-83,86-87H,3-74H2,1-2H3,(H,97,98)(H2,88,89,90)(H2,91,92,93)(H2,94,95,96)/t75-,78?,79?,80-,81+,82?,83?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O