N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290)

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CHEBI:83290 - N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide

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ChEBI ID	CHEBI:83290
ChEBI Name	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide
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ASCII Name	N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide
Definition	A non-proteinogenic dipeptide formed from L-γ-glutamic acid and hercynyl-L-cysteine sulfoxide residues. It is an intermediate in the synthesis of ergothioneine, a compound found in certain fungi and mycobacteria.
Last Modified	7 January 2015
Submitter	Steve
Downloads	Molfile

Formula	C17H27N5O8S
Net Charge	0
Average Mass	461.497
Monoisotopic Mass	461.15803
SMILES	C[N+](C)(C)[C@@H](Cc1cnc(S(=O)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)n1)C(=O)[O-]
InChI	InChI=1S/C17H27N5O8S/c1-22(2,3)12(16(28)29)6-9-7-19-17(20-9)31(30)8-11(15(26)27)21-13(23)5-4-10(18)14(24)25/h7,10-12H,4-6,8,18H2,1-3H3,(H4-,19,20,21,23,24,25,26,27,28,29)/t10-,11-,12-,31?/m0/s1
InChIKey	SJHLSLUUWIBQNS-TYLCEOGASA-N

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology

Outgoing Relation(s)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) has functional parent L-cysteine (CHEBI:17561)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) has functional parent L-histidine (CHEBI:15971)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) has role fungal metabolite (CHEBI:76946)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) is a ammonium betaine (CHEBI:35284)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) is a dipeptide (CHEBI:46761)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) is a sulfoxide (CHEBI:22063)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290) is conjugate acid of N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−) (CHEBI:82703)
Incoming Relation(s)
Incoming Relation(s)	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−) (CHEBI:82703) is conjugate base of N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide (CHEBI:83290)

IUPAC Name
L-γ-glutamyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}sulfinyl)-L-alanine

Manual Xrefs	Databases
CPD-15279	MetaCyc

Registry Numbers	Sources
Reaxys:24604970	Reaxys