Sulopenem (CHEBI:201412)

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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	Sulopenem

ChEBI ID	CHEBI:201412

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H15NO5S3

Net Charge

Average Mass

349.430

Monoisotopic Mass

349.01124

InChI

InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)

InChIKey

FLSUCZWOEMTFAQ-UHFFFAOYSA-N

SMILES

S1(=O)CC(SC=2SC3C(C(O)C)C(N3C2C(=O)O)=O)CC1

ChEBI Ontology
Outgoing	Sulopenem (CHEBI:201412) has functional parent α-amino acid (CHEBI:33704) Sulopenem (CHEBI:201412) is a organonitrogen compound (CHEBI:35352) Sulopenem (CHEBI:201412) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid