Asparaginyl-Histidine (CHEBI:168607)

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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	Asparaginyl-Histidine

ChEBI ID	CHEBI:168607

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H15N5O4

Net Charge

Average Mass

269.261

Monoisotopic Mass

269.11240

InChI

InChI=1S/C10H15N5O4/c11-6(2-8(12)16)9(17)15-7(10(18)19)1-5-3-13-4-14-5/h3-4,6-7H,1-2,11H2,(H2,12,16)(H,13,14)(H,15,17)(H,18,19)

InChIKey

FFMIYIMKQIMDPK-UHFFFAOYSA-N

SMILES

O=C(NC(CC=1NC=NC1)C(O)=O)C(N)CC(=O)N

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue 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 )

ChEBI Ontology
Outgoing	Asparaginyl-Histidine (CHEBI:168607) is a dipeptide (CHEBI:46761)

IUPAC Name

2-[(2,4-diamino-4-oxobutanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid