Cys-Gln (CHEBI:157805)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Cys-Gln

ChEBI ID	CHEBI:157805

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H15N3O4S

Net Charge

Average Mass

249.290

Monoisotopic Mass

249.07833

InChI

InChI=1S/C8H15N3O4S/c9-4(3-16)7(13)11-5(8(14)15)1-2-6(10)12/h4-5,16H,1-3,9H2,(H2,10,12)(H,11,13)(H,14,15)/t4-,5-/m0/s1

InChIKey

YHDXIZKDOIWPBW-WHFBIAKZSA-N

SMILES

SC[C@H](N)C(=O)N[C@@H](CCC(=O)N)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 )

ChEBI Ontology
Outgoing	Cys-Gln (CHEBI:157805) is a dipeptide (CHEBI:46761)

IUPAC Name

(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoic acid