2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320)

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ChEBI Name	*2-amino-5-chloro-cis,cis-muconic 6-semialdehyde*

ChEBI ID	CHEBI:75320

ChEBI ASCII Name	2-amino-5-chloro-cis,cis-muconic 6-semialdehyde

Definition	A muconic semialdehyde having amino and chloro substituents at positions 2 and 5 respectively.

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

Supplier Information

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Formula

C6H6ClNO3

Net Charge

Average Mass

175.57000

Monoisotopic Mass

175.00362

InChI

InChI=1S/C6H6ClNO3/c7-4(3-9)1-2-5(8)6(10)11/h1-3H,8H2,(H,10,11)/b4-1+,5-2+

InChIKey

YEIFVAPTZWXPNE-GRSRPBPQSA-N

SMILES

[H]C(=O)C(\Cl)=C/C=C(/N)C(O)=O

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

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	2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320) has role metabolite (CHEBI:25212) 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320) is a muconic semialdehyde (CHEBI:38436) 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320) is a non-proteinogenic α-amino acid (CHEBI:83925) 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320) is a organochlorine compound (CHEBI:36683) 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320) is tautomer of 2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion (CHEBI:75057)

Incoming	2-amino-5-chloro-cis,cis-muconate 6-semialdehyde zwitterion (CHEBI:75057) is tautomer of 2-amino-5-chloro-cis,cis-muconic 6-semialdehyde (CHEBI:75320)

IUPAC Name

(2E,4E)-2-amino-5-chloro-6-oxohexa-2,4-dienoic acid

Citation	Type	Source
15580337	PubMed citation	Europe PMC

Last Modified

26 March 2015