3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione (CHEBI:228390)

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CHEBI:228390 - 3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione

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ChEBI ID	CHEBI:228390
ChEBI Name	3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H10N2O2
Net Charge	0
Average Mass	154.169
Monoisotopic Mass	154.07423
SMILES	CCCNc1c(N)c(=O)c1=O
InChI	InChI=1S/C7H10N2O2/c1-2-3-9-5-4(8)6(10)7(5)11/h9H,2-3,8H2,1H3
InChIKey	BNXSOTNBHPGHGZ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione (CHEBI:228390) is a secondary amine (CHEBI:32863)

IUPAC Name
3-amino-4-(propylamino)cyclobut-3-ene-1,2-dione

Manual Xrefs	Databases
2104746	ChemSpider