ibotenic acid   Click here for help

GtoPdb Ligand ID: 1371

Synonyms: ibotenate
Comment: From the mushrooms Amanita muscaria and Amanita pantherina
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 109.32
Molecular weight 158.03
XLogP -4.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(c1o[nH]c(=O)c1)N
Isomeric SMILES OC(=O)C(c1o[nH]c(=O)c1)N
InChI InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)
InChI Key IRJCBFDCFXCWGO-UHFFFAOYSA-N
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Synonyms Click here for help
ibotenate
Database Links Click here for help
BindingDB Ligand 50004901
CAS Registry No. 2552-55-8 (source: NCI)
ChEBI CHEBI:5854
ChEMBL Ligand CHEMBL284895
GtoPdb PubChem SID 135652693
PubChem CID 1233
Search Google for chemical match using the InChIKey IRJCBFDCFXCWGO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IRJCBFDCFXCWGO
UniChem Compound Search for chemical match using the InChIKey IRJCBFDCFXCWGO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IRJCBFDCFXCWGO-UHFFFAOYSA-N
Wikipedia Ibotenic_acid

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Tocris
Ibotenic acid
Cat. No. 0285