CHEBI:17696 - isocyanuric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name isocyanuric acid
Definition The keto tautomer of cyanuric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23439
Supplier Information
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Formula C3H3N3O3
Net Charge 0
Average Mass 129.07434
Monoisotopic Mass 129.01744
InChI InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
SMILES O=c1[nH]c(=O)[nH]c(=O)[nH]1
Roles Classification
Biological Role(s): xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
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ChEBI Ontology
Outgoing isocyanuric acid (CHEBI:17696) has role xenobiotic (CHEBI:35703)
isocyanuric acid (CHEBI:17696) is a 1,3,5-triazinanes (CHEBI:38779)
isocyanuric acid (CHEBI:17696) is tautomer of cyanuric acid (CHEBI:38028)
Incoming 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione (CHEBI:59098) has functional parent isocyanuric acid (CHEBI:17696)
melamine cyanurate (CHEBI:60153) has part isocyanuric acid (CHEBI:17696)
cyanuric acid (CHEBI:38028) is tautomer of isocyanuric acid (CHEBI:17696)
Synonyms Sources
1,3,5-triazine-2,4,6(1H,3H,5H)-trione NIST Chemistry WebBook
isocyanuric acid NIST Chemistry WebBook
Isocyanursäure ChEBI
Isozyanursäure ChEBI
s-triazine-2,4,6-trione NIST Chemistry WebBook
Manual Xrefs Databases
CN101830859 Patent
View more database links
Registry Numbers Types Sources
101413 Gmelin Registry Number Gmelin
108-80-5 CAS Registry Number NIST Chemistry WebBook
108-80-5 CAS Registry Number ChemIDplus
126982 Reaxys Registry Number Reaxys
126982 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
15909931 PubMed citation Europe PMC
Last Modified
29 June 2015