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CHEBI:132290 - 3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

ChEBI IDCHEBI:132290
ChEBI Name3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Stars
DefinitionA β-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying additional (2-aminoethyl)sulfanyl and methyl substituents at positions 3 and 6 respectively. An intermediate in the biosynthesis of carbapenem.
Last Modified18 May 2022
Submittergemma
DownloadsMolfile
FormulaC10H16N2O3S
Net Charge0
Average Mass244.316
Monoisotopic Mass244.08816
SMILESCC1C(=O)N2C1CC(SCCN)C2C(=O)O
InChIInChI=1S/C10H16N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h5-8H,2-4,11H2,1H3,(H,14,15)
InChIKeyRFDLXEYGELAYRI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces cattleya (ncbitaxon:29303) - PubMed (21263049)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132290) has role bacterial metabolite (CHEBI:76969)
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132290) is a aliphatic sulfide (CHEBI:22327)
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132290) is a monocarboxylic acid (CHEBI:25384)
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132290) is a organic heterobicyclic compound (CHEBI:27171)
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132290) is a primary amino compound (CHEBI:50994)
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:132290) is a β-lactam (CHEBI:35627)
IUPAC Name 
3-[(2-aminoethyl)sulfanyl]-6-methyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Synonym  Source
carbapenem biosynthesis intermediate 2SUBMITTER
Citations