histidine (CHEBI:27570)

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ChEBI Name	histidine

ChEBI ID	CHEBI:27570

Definition	An α-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:24598, CHEBI:43118, CHEBI:5733

Supplier Information	ChemicalBook:CB6441658, eMolecules:530918

Download	Molfile XML SDF

Wikipedia	License
Theophylline, also known as 1,3-dimethylxanthine, is a drug that inhibits phosphodiesterase and blocks adenosine receptors. It is used to treat chronic obstructive pulmonary disease (COPD) and asthma. Its pharmacology is similar to other methylxanthine drugs (e.g., theobromine and caffeine). Trace amounts of theophylline are naturally present in tea, coffee, chocolate, yerba maté, guarana, and kola nut. The name 'theophylline' derives from "Thea"—the former genus name for tea + Legacy Greek φύλλον (phúllon, "leaf") + -ine.
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Formula

C6H9N3O2

Net Charge

Average Mass

155.15468

Monoisotopic Mass

155.06948

InChI

InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)

InChIKey

HNDVDQJCIGZPNO-UHFFFAOYSA-N

SMILES

NC(Cc1c[nH]cn1)C(O)=O

Metabolite of Species	Details
Daphnia magna (NCBI:txid35525)	See: PubMed

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 )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	histidine (CHEBI:27570) has part 1H-imidazol-4-ylmethyl group (CHEBI:50338) histidine (CHEBI:27570) has role metabolite (CHEBI:25212) histidine (CHEBI:27570) is a α-amino acid (CHEBI:33704) histidine (CHEBI:27570) is a aromatic amino acid (CHEBI:33856) histidine (CHEBI:27570) is a imidazoles (CHEBI:24780) histidine (CHEBI:27570) is a polar amino acid (CHEBI:26167) histidine (CHEBI:27570) is conjugate acid of histidinate(1−) (CHEBI:32529) histidine (CHEBI:27570) is conjugate base of histidinium(1+) (CHEBI:32531)

Incoming	α-methylhistidine (CHEBI:70960) has functional parent histidine (CHEBI:27570) histidine derivative (CHEBI:24599) has functional parent histidine (CHEBI:27570) D-histidine (CHEBI:27947) is a histidine (CHEBI:27570) L-histidine (CHEBI:15971) is a histidine (CHEBI:27570) histidinium(1+) (CHEBI:32531) is conjugate acid of histidine (CHEBI:27570) histidinate(1−) (CHEBI:32529) is conjugate base of histidine (CHEBI:27570) N^π-histidino group (CHEBI:32533) is substituent group from histidine (CHEBI:27570) N^τ-histidino group (CHEBI:32534) is substituent group from histidine (CHEBI:27570) N²-histidino group (CHEBI:24601) is substituent group from histidine (CHEBI:27570) histidine residue (CHEBI:32535) is substituent group from histidine (CHEBI:27570) histidyl group (CHEBI:37906) is substituent group from histidine (CHEBI:27570)

IUPAC Names

2-amino-3-(1H-imidazol-4-yl)propanoic acid

histidine

Synonyms	Sources
alpha-Amino-1H-imidazole-4-propionic acid	KEGG COMPOUND
DL-Histidine	KEGG COMPOUND
Histidin	ChEBI
histidina	ChEBI
Histidine	KEGG COMPOUND

Citations

Last Modified

06 July 2021