S-(5-histidyl)cysteine sulfoxide (CHEBI:83418)

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ChEBI Name	S-(5-histidyl)cysteine sulfoxide

ChEBI ID	CHEBI:83418

ChEBI ASCII Name	S-(5-histidyl)cysteine sulfoxide

Definition	A L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C9H14N4O5S

Net Charge

Average Mass

290.29600

Monoisotopic Mass

290.06849

InChI

InChI=1S/C9H14N4O5S/c10-4(8(14)15)1-6-7(13-3-12-6)19(18)2-5(11)9(16)17/h3-5H,1-2,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,19?/m0/s1

InChIKey

CHVJBWUZNCGHCS-VCNVLXLASA-N

SMILES

N[C@@H](Cc1nc[nH]c1S(=O)C[C@H](N)C(O)=O)C(O)=O

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):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) has role marine metabolite (CHEBI:76507) S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a L-cysteine derivative (CHEBI:83824) S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a L-histidine derivative (CHEBI:84076) S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a non-proteinogenic L-α-amino acid (CHEBI:83822) S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is a sulfoxide (CHEBI:22063) S-(5-histidyl)cysteine sulfoxide (CHEBI:83418) is tautomer of S-(5-histidyl)cysteine sulfoxide dizwitterion (CHEBI:82728)

Incoming	S-(5-histidyl)cysteine sulfoxide dizwitterion (CHEBI:82728) is tautomer of S-(5-histidyl)cysteine sulfoxide (CHEBI:83418)

IUPAC Name

5-{[(2R)-2-amino-2-carboxyethyl]sulfinyl}-L-histidine

Synonym	Source
S-(5-L-histidyl)-L-cysteine sulfoxide	ChEBI

Registry Number	Type	Source
24604972	Reaxys Registry Number	Reaxys

Last Modified

07 January 2015