carcinine (CHEBI:131429)

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ChEBI Name	carcinine

ChEBI ID	CHEBI:131429

Definition	A β-alanine derivative that is the amide obtained by formal condensation of the carboxy group of β-alanine with the primary amino group of histamine.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Harold Drabkin

Supplier Information

Download	Molfile XML SDF

Formula

C8H14N4O

Net Charge

Average Mass

182.223

Monoisotopic Mass

182.11676

InChI

InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)

InChIKey

ANRUJJLGVODXIK-UHFFFAOYSA-N

SMILES

N1C=C(N=C1)CCNC(CCN)=O

Metabolite of Species	Details
Carcinus maenas (NCBI:txid6759)	See: PubMed
Drosophila melanogaster (NCBI:txid7227)	See: PubMed

Roles Classification
Chemical Role(s):	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.

Biological Role(s):	crustacean metabolite An animal metabolite produced by arthropods such as crabs, lobsters, crayfish, shrimps and krill.

ChEBI Ontology
Outgoing	carcinine (CHEBI:131429) has functional parent histamine (CHEBI:18295) carcinine (CHEBI:131429) has role antioxidant (CHEBI:22586) carcinine (CHEBI:131429) has role crustacean metabolite (CHEBI:83039) carcinine (CHEBI:131429) is a β-alanine derivative (CHEBI:22823) carcinine (CHEBI:131429) is a imidazoles (CHEBI:24780) carcinine (CHEBI:131429) is a monocarboxylic acid amide (CHEBI:29347) carcinine (CHEBI:131429) is conjugate base of carcininium (CHEBI:192797)

Incoming	carcininium (CHEBI:192797) is conjugate acid of carcinine (CHEBI:131429)

IUPAC Name

N-[2-(1H-imidazol-4-yl)ethyl]-β-alaninamide

Last Modified

12 August 2022