2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid (CHEBI:179283)

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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	2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid

ChEBI ID	CHEBI:179283

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

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB3169304, eMolecules:530368, ZINC000001530303

Download	Molfile XML SDF

Formula

C7H14N2O4

Net Charge

Average Mass

190.199

Monoisotopic Mass

190.09536

InChI

InChI=1S/C7H14N2O4/c1-4(10)6(11)9-3-2-5(8)7(12)13/h4-5,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4?,5-/m0/s1

InChIKey

BKHCIFAZUHUBPL-AKGZTFGVSA-N

SMILES

OC(C(=O)NCC[C@H](N)C(O)=O)C

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	2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid (CHEBI:179283) is a L-α-amino acid (CHEBI:15705)

IUPAC Name

(2S)-2-amino-4-(2-hydroxypropanoylamino)butanoic acid