CHEBI:17696 - isocyanuric acid

Main ChEBI Ontology Automatic Xrefs
ChEBI Name isocyanuric acid
ChEBI ID CHEBI:17696
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
InChI InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
InChIKey ZFSLODLOARCGLH-UHFFFAOYSA-N
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)
IUPAC Name
1,3,5-triazinane-2,4,6-trione
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
Database Links Databases
CN101830859 Patent
CYANURIC-ACID MetaCyc
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 CiteXplore
Last Modified
29 June 2015