2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acid (CHEBI:183494)

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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	2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acid

ChEBI ID	CHEBI:183494

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H16N2O4S

Net Charge

Average Mass

260.310

Monoisotopic Mass

260.08308

InChI

InChI=1S/C10H16N2O4S/c13-8(5-17-6-9(14)15)12-7-3-1-2-4-11-10(7)16/h7H,1-6H2,(H,11,16)(H,12,13)(H,14,15)

InChIKey

ARRQGRAGXDWSOC-UHFFFAOYSA-N

SMILES

S(CC(=O)NC1CCCCNC1=O)CC(O)=O

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study

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

ChEBI Ontology
Outgoing	2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acid (CHEBI:183494) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name

2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulanylacetic acid