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CHEBI:201812 - Ertapenem Disodium

Default Structure
ChEBI IDCHEBI:201812
ChEBI NameErtapenem Disodium
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23N3O7S.2Na
Net Charge0
Average Mass519.487
Monoisotopic Mass519.10521
SMILESCC(O)C1C(=O)N2C(C(=O)[O-])=C(SC3CNC(C(=O)Nc4cccc(C(=O)[O-])c4)C3)C(C)C12.[Na+].[Na+]
InChIInChI=1S/C22H25N3O7S.2Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);;/q;2*+1/p-2
InChIKeyKMVRATCHVMUJHM-UHFFFAOYSA-L
Roles Classification
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)
Ertapenem Disodium (CHEBI:201812) is a carbapenems (CHEBI:46633)
IUPAC Name 
disodium;(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxylatophenyl)carbamoyl]pyrrolidin-3-yl]sulanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Manual XrefsDatabases
132759ChemSpider