CHEBI:71201 - xanthurenate

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ChEBI Name xanthurenate
ChEBI ID CHEBI:71201
Definition A quinolinemonocarboxylate that is the conjugate base of xanthurenic acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5702648, eMolecules:532410, ZINC000000895103
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Threonine (symbol Thr or T) is an amino acid that is used in the biosynthesis of proteins. It contains an α-amino group (which is in the protonated −NH+3 form when dissolved in water), a carboxyl group (which is in the deprotonated −COO− form when dissolved in water), and a side chain containing a hydroxyl group, making it a polar, uncharged amino acid. It is essential in humans, meaning the body cannot synthesize it: it must be obtained from the diet. Threonine is synthesized from aspartate in bacteria such as E. coli. It is encoded by all the codons starting AC (ACU, ACC, ACA, and ACG). Threonine sidechains are often hydrogen bonded; the most common small motifs formed are based on interactions with serine: ST turns, ST motifs (often at the beginning of alpha helices) and ST staples (usually at the middle of alpha helices).
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Formula C10H6NO4
Net Charge -1
Average Mass 204.15890
Monoisotopic Mass 204.03023
InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)/p-1
InChIKey FBZONXHGGPHHIY-UHFFFAOYSA-M
SMILES Oc1cccc2c(O)cc(nc12)C([O-])=O
Roles Classification
Biological Role(s): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
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ChEBI Ontology
Outgoing xanthurenate (CHEBI:71201) has role animal metabolite (CHEBI:75767)
xanthurenate (CHEBI:71201) is a quinolinemonocarboxylate (CHEBI:38773)
xanthurenate (CHEBI:71201) is conjugate base of xanthurenic acid (CHEBI:10072)
Incoming xanthurenic acid (CHEBI:10072) is conjugate acid of xanthurenate (CHEBI:71201)
IUPAC Name
4,8-dihydroxyquinoline-2-carboxylate
Synonym Source
xanthurenate UniProt
Manual Xrefs Databases
C02470 KEGG COMPOUND
HMDB0000881 HMDB
XANTHURENATE MetaCyc
Xanthurenic_acid Wikipedia
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Citation Type Source
22770225 PubMed citation Europe PMC
Last Modified
04 November 2020