Dopastin (CHEBI:224074)

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CHEBI:224074 - Dopastin

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ChEBI ID	CHEBI:224074
ChEBI Name	Dopastin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H17N3O3
Net Charge	0
Average Mass	215.253
Monoisotopic Mass	215.12699
SMILES	C/C=C/C(=O)NC[C@H](C(C)C)[N+]([O-])=NO
InChI	InChI=1S/C9H17N3O3/c1-4-5-9(13)10-6-8(7(2)3)12(15)11-14/h4-5,7-8,14H,6H2,1-3H3,(H,10,13)/b5-4+,12-11?/t8-/m1/s1
InChIKey	XMPRFBUTGLVJQS-VAXFRCSPSA-N

Species of Metabolite	Component	Source	Comments
Pseudomonas (ncbitaxon:286)	-	PubMed (4648494)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Dopastin (CHEBI:224074) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
[(2S)-1-[[(E)-but-2-enoyl]amino]-3-methylbutan-2-yl]-hydroxyimino-oxidoazanium

Manual Xrefs	Databases
78443169	ChemSpider