CHEBI:201812 - Ertapenem Disodium

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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 Ertapenem Disodium
ChEBI ID CHEBI:201812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H23N3O7S.Na.Na
Net Charge 0
Average Mass 519.480
Monoisotopic Mass 519.10521
InChI InChI=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
InChIKey KMVRATCHVMUJHM-UHFFFAOYSA-L
SMILES S(C1=C(N2C(=O)C(C2C1C)C(O)C)C(=O)[O-])C3CNC(C3)C(=O)NC4=CC(C(=O)[O-])=CC=C4.[Na+].[Na+]
Roles Classification
Biological Role(s): 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
132759 ChemSpider
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