N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-) (CHEBI:82703)

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CHEBI:82703 - N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−)

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ChEBI ID	CHEBI:82703
ChEBI Name	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−)
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ASCII Name	N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide(1-)
Definition	A peptide anion that is the conjugate base of N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide and major species at pH 7.3.
Last Modified	27 October 2021
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C17H26N5O8S
Net Charge	-1
Average Mass	460.489
Monoisotopic Mass	460.15076
SMILES	C[N+](C)(C)[C@@H](Cc1cnc(S(=O)C[C@H](NC(=O)CC[C@H]([NH3+])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)/p-1/t10-,11-,12-,31?/m0/s1
InChIKey	SJHLSLUUWIBQNS-TYLCEOGASA-M

ChEBI Ontology

Outgoing Relation(s)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−) (CHEBI:82703) has functional parent N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781)
	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−) (CHEBI:82703) is a peptide anion (CHEBI:60334)
	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)
Incoming Relation(s)
	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)

IUPAC Name
(2S)-2-ammonio-5-{[(1R)-1-carboxylato-2-({4-[(2S)-2-carboxylato-2-(trimethylammonio)ethyl]-1H-imidazol-2-yl}sulfinyl)ethyl]amino}-5-oxopentanoate

UniProt Name	Source
γ-L-glutamyl-hercynylcysteine S-oxide	UniProt

Manual Xrefs	Databases
CPD-15279	MetaCyc

Citations