beta-alanine (CHEBI:16958)

CHEBI:16958 - β-alanine

ChEBI ID	CHEBI:16958
ChEBI Name	β-alanine
Stars
ASCII Name	beta-alanine
Definition	A naturally-occurring β-amino acid comprising propionic acid with the amino group in the 3-position.
Secondary ChEBI IDs	CHEBI:10343, CHEBI:12389, CHEBI:22821, CHEBI:41050
Last Modified	12 October 2017
Downloads	Molfile

Formula	C3H7NO2
Net Charge	0
Average Mass	89.094
Monoisotopic Mass	89.04768
SMILES	NCCC(=O)O
InChI	InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
InChIKey	UCMIRNVEIXFBKS-UHFFFAOYSA-N

Wikipedia

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932)	-	PubMed (24678285)	Source: yeast.sf.net
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

fundamental metabolite Any metabolite produced by all living cells.

neurotransmitter An endogenous compound that is used to transmit information across the synapse between a neuron and another cell.

agonist Substance which binds to cell receptors normally responding to naturally occurring substances and which produces a response of its own.

inhibitor A substance that diminishes the rate of a chemical reaction.

ChEBI Ontology

Outgoing Relation(s)
	β-alanine (CHEBI:16958) has role agonist (CHEBI:48705)
	β-alanine (CHEBI:16958) has role fundamental metabolite (CHEBI:78675)
	β-alanine (CHEBI:16958) has role human metabolite (CHEBI:77746)
	β-alanine (CHEBI:16958) has role inhibitor (CHEBI:35222)
	β-alanine (CHEBI:16958) has role neurotransmitter (CHEBI:25512)
	β-alanine (CHEBI:16958) is a β-amino acid (CHEBI:33706)
	β-alanine (CHEBI:16958) is conjugate acid of β-alaninate (CHEBI:63070)
	β-alanine (CHEBI:16958) is tautomer of β-alanine zwitterion (CHEBI:57966)
Incoming Relation(s)
	N-(2-hydroxyethyl)-β-alanine (CHEBI:141390) has functional parent β-alanine (CHEBI:16958)
	N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-β-alanine (CHEBI:71526) has functional parent β-alanine (CHEBI:16958)
	N-methyl-β-alanine (CHEBI:138669) has functional parent β-alanine (CHEBI:16958)
	β-alanine derivative (CHEBI:22823) has functional parent β-alanine (CHEBI:16958)
	β-alanyl-CoA (CHEBI:15507) has functional parent β-alanine (CHEBI:16958)
	β-alaninate (CHEBI:63070) is conjugate base of β-alanine (CHEBI:16958)
	β-alanine zwitterion (CHEBI:57966) is tautomer of β-alanine (CHEBI:16958)

IUPAC Names
β-alanine
3-aminopropanoic acid

Citations