CHEBI:58998 - carbapenem MM22383

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ChEBI Name carbapenem MM22383
ChEBI ID CHEBI:58998
Definition A carbapenemcarboxylic acid having a 2-(acetamidovinyl)sulfanyl group at the 2-position and an (S)-1-hydroxyethyl group at the 6-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16N2O5S
Net Charge 0
Average Mass 312.34200
Monoisotopic Mass 312.07799
InChI InChI=1S/C13H16N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h3-4,6,8,10,16H,5H2,1-2H3,(H,14,17)(H,19,20)/b4-3+/t6-,8+,10+/m0/s1
InChIKey PRPNUZWHFGSGRV-RZFSBTTISA-N
SMILES [H][C@]12CC(S\C=C\NC(C)=O)=C(N1C(=O)[C@]2([H])[C@H](C)O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
antibacterial drug
A drug used to treat or prevent bacterial infections.
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
(via carbapenems )
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing carbapenem MM22383 (CHEBI:58998) has role antibacterial drug (CHEBI:36047)
carbapenem MM22383 (CHEBI:58998) has role drug allergen (CHEBI:88188)
carbapenem MM22383 (CHEBI:58998) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
carbapenem MM22383 (CHEBI:58998) is a carbapenemcarboxylic acid (CHEBI:46634)
IUPAC Name
(5R,6S)-2-{[(E)-2-acetamidovinyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-2,3-didehydro-1-carbapenam-3-carboxylic acid
Synonyms Sources
(5R,6S)-3-{[(E)-2-acetamidovinyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC
MM22383 ChEBI
Manual Xref Database
C17398 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
497581 Beilstein Registry Number Beilstein
65322-98-7 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
3338858 PubMed citation Europe PMC
Last Modified
21 December 2015