Carbapenem biosynthesis intermediate 3 (CHEBI:176936)

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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	Carbapenem biosynthesis intermediate 3

ChEBI ID	CHEBI:176936

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H14N2O3S

Net Charge

Average Mass

242.290

Monoisotopic Mass

242.07251

InChI

InChI=1S/C10H14N2O3S/c1-5-6-4-7(16-3-2-11)8(10(14)15)12(6)9(5)13/h6-8H,1-4,11H2,(H,14,15)

InChIKey

KSIWNEBGZFZJRN-UHFFFAOYSA-N

SMILES

S(C1C(N2C(C1)C(C2=O)=C)C(O)=O)CCN

Metabolite of Species	Details
Streptococcus mutans (NCBI:txid1309)	Found in biofilm (BTO:0002690). of strain Streptococcus mutans UA159 [NCBI:txid210007] See: MetaboLights Study

ChEBI Ontology
Outgoing	Carbapenem biosynthesis intermediate 3 (CHEBI:176936) is a carbapenam (CHEBI:64510)

IUPAC Name

3-(2-aminoethylsulanyl)-6-methylidene-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid