Balenine (CHEBI:193825)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:193825 - Balenine

Take structure to advanced search

ChEBI ID	CHEBI:193825
ChEBI Name	Balenine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H16N4O3
Net Charge	0
Average Mass	240.263
Monoisotopic Mass	240.12224
SMILES	Cn1cnc(C[C@H](NC(=O)CCN)C(=O)O)c1
InChI	InChI=1S/C10H16N4O3/c1-14-5-7(12-6-14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKey	SLRNWACWRVGMKD-QMMMGPOBSA-N

Species of Metabolite	Component	Source	Comments
synthetic microbial community (ncbitaxon:3229850)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS3129)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Balenine (CHEBI:193825) is a peptide (CHEBI:16670)
	Balenine (CHEBI:193825) is tautomer of balenine zwitterion (CHEBI:232060)
Incoming Relation(s)
	balenine zwitterion (CHEBI:232060) is tautomer of Balenine (CHEBI:193825)

IUPAC Name
(2S)-2-(3-aminopropanoylamino)-3-(1-methylimidazol-4-yl)propanoic acid

Manual Xrefs	Databases
HMDB0005769	HMDB
8374148	ChemSpider