Ethyl-L-NIO (CHEBI:186855)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Ethyl-L-NIO

ChEBI ID	CHEBI:186855

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H19N3O2

Net Charge

Average Mass

201.270

Monoisotopic Mass

201.14773

InChI

InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/t7-/m0/s1

InChIKey

KRILJVOCVSUPMA-ZETCQYMHSA-N

SMILES

OC(=O)[C@@H](N)CCC/N=C(/N)\CCC

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Ethyl-L-NIO (CHEBI:186855) is a L-α-amino acid (CHEBI:15705)

IUPAC Name

(2S)-2-amino-5-(1-aminobutylideneamino)pentanoic acid