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CHEBI:615 - 1-carbapenem-3-carboxylic acid

ChEBI IDCHEBI:615
ChEBI Name1-carbapenem-3-carboxylic acid
Stars
DefinitionA carbapenemcarboxylic acid that is the 3-carboxy derivative of 2,3-didehydro-1-carbapenam.
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H7NO3
Net Charge0
Average Mass153.137
Monoisotopic Mass153.04259
SMILES[H][C@]12CC=C(C(=O)O)N1C(=O)C2
InChIInChI=1S/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)/t4-/m1/s1
InChIKeyBSIMZHVOQZIAOY-SCSAIBSYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
1-carbapenem-3-carboxylic acid (CHEBI:615) is a carbapenemcarboxylic acid (CHEBI:46634)
1-carbapenem-3-carboxylic acid (CHEBI:615) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
1-carbapenem-3-carboxylic acid (CHEBI:615) is conjugate acid of (5R)-carbapenem-3-carboxylate (CHEBI:73943)
Incoming Relation(s)
(5R)-carbapenem-3-carboxylate (CHEBI:73943) is conjugate base of 1-carbapenem-3-carboxylic acid (CHEBI:615)
IUPAC Name 
2,3-didehydro-1-carbapenam-3-carboxylic acid
Synonyms  Source
1-Carbapen-2-em-3-carboxylic acidKEGG COMPOUND
(5R)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acidIUPAC
carbapenem-3-carboxylic acidChemIDplus
SQ 27860ChemIDplus
(5R)-Carbapenem-3-carboxylateKEGG COMPOUND
(5R)-Carbapenem-3-carboxylic acidKEGG COMPOUND
Manual XrefsDatabases
C06669KEGG COMPOUND
CPD-9377MetaCyc
Registry NumbersSources
Reaxys:8832318Reaxys
CAS:82768-37-4ChemIDplus