(2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate (CHEBI:141808)

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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	(2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate

ChEBI ID	CHEBI:141808

ChEBI ASCII Name	(2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate

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

Submitter	Kristian Axelsen

Supplier Information

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Formula

C10H16N4O4

Net Charge

Average Mass

256.259

Monoisotopic Mass

256.11716

InChI

InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8+/m0/s1

InChIKey

PQUPEWJRDBYFHU-JGVFFNPUSA-N

SMILES

N=1C(=CNC1)C[C@@H]([NH2+]CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]

ChEBI Ontology
Outgoing	(2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate (CHEBI:141808) has functional parent staphylopine(1−) (CHEBI:141669) (2S)-2-ammonio-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]ammonio}butanoate (CHEBI:141808) is a organic molecular entity (CHEBI:50860)

Synonym	Source
(2S)-2-amino-4-{[(1R)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]amino}butanoate	UniProt

Citation	Type	Source
27230378	PubMed citation	SUBMITTER