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

ChEBI IDCHEBI:183494
ChEBI Name2-({2-oxo-2-[(2-oxo-3-azepanyl)amino]ethyl}sulfanyl)acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H16N2O4S
Net Charge0
Average Mass260.315
Monoisotopic Mass260.08308
SMILESO=C(O)CSCC(=O)NC1CCCCNC1=O
InChIInChI=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)
InChIKeyARRQGRAGXDWSOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
2091525ChemSpider