Preferred Name

ertapenem

Synonyms

ERTAPENEM

(1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid

ertapenem

(4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

(4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Definitions

Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract.

ID

http://purl.obolibrary.org/obo/CHEBI_404903

charge

0

database_cross_reference

Beilstein:9025520

Patent:WO9315078

Wikipedia:Ertapenem

CAS:153832-46-3

Drug_Central:1046

DrugBank:DB00303

Patent:US5478820

KEGG:D07908

definition

Meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is used for the treatment of moderate to severe susceptible infections including intra-abdominal and acute gynaecological infections, pneumonia, and infections of the skin and of the urinary tract.

formula

C22H25N3O7S

has role

http://purl.obolibrary.org/obo/CHEBI_36047

has_alternative_id

CHEBI:471574

has_exact_synonym

ERTAPENEM

(4R,5S,6S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

has_obo_namespace

chebi_ontology

has_related_synonym

(1R,5S,6S,8R,2'S,4'S)-2-(2-(3-carboxyphenylcarbamoyl)pyrrolidin-4-ylthio)-6-(1-hydroxyethyl)-1-methylcarbapenem-3-carboxylic acid

ertapenem

(4R,5S,6S)-3-((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid

id

CHEBI:404903

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

inchi

InChI=1S/C22H25N3O7S/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)/t9-,10-,13+,14+,15-,16-/m1/s1

inchikey

JUZNIMUFDBIJCM-ANEDZVCMSA-N

is conjugate acid of

http://purl.obolibrary.org/obo/CHEBI_60071

label

ertapenem

mass

475.51500

monoisotopicmass

475.14132

notation

CHEBI:404903

prefLabel

ertapenem

smiles

[H][C@]1(CN[C@@]([H])(C1)C(=O)Nc1cccc(c1)C(O)=O)SC1=C(N2C(=O)[C@]([H])([C@@H](C)O)[C@@]2([H])[C@H]1C)C(O)=O

subClassOf

http://purl.obolibrary.org/obo/CHEBI_46634

http://purl.obolibrary.org/obo/CHEBI_46770

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http://purl.obolibrary.org/obo/DRON_00018560 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018560 DRON LOOM
http://purl.obolibrary.org/obo/DRON_00018560 DRON LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61752 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61752 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C61752 NCIT LOOM
http://purl.bioontology.org/ontology/UATC/J01DH03 ATC LOOM
http://purl.bioontology.org/ontology/NDDF/009554 NDDF LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 GENEPIO LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 GENEPIO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_404903 CHEBI SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#C446479 RH-MESH LOOM
http://purl.obolibrary.org/obo/ARO_0000070 ARO LOOM
http://purl.obolibrary.org/obo/ARO_0000070 ARO LOOM
http://purl.obolibrary.org/obo/ARO_0000070 ARO LOOM
http://www.co-ode.org/ontologies/galen#Ertapenem GALEN LOOM
http://purl.bioontology.org/ontology/LNC/LP33356-4 LOINC LOOM
http://purl.bioontology.org/ontology/VANDF/4021283 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148720 NDFRT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/396346003 SNOMEDCT LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C1120106 OCHV LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#54784 OCHV LOOM
http://purl.bioontology.org/ontology/MESH/D000077727 MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU016193 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/325642 RXNORM LOOM