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CHEBI:60071 - ertapenem(1−)

ChEBI IDCHEBI:60071
ChEBI Nameertapenem(1−)
Stars
ASCII Nameertapenem(1-)
DefinitionThe mono-anion resulting from the removal of a proton from one of the carboxyic acid groups of ertapenem.
Last Modified17 August 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H24N3O7S
Net Charge-1
Average Mass474.515
Monoisotopic Mass474.13404
SMILES[H][C@@]1(SC2=C(C(=O)[O-])N3C(=O)[C@]([H])([C@@H](C)O)[C@@]3([H])[C@H]2C)C[NH2+][C@]([H])(C(=O)Nc2cccc(C(=O)[O-])c2)C1
InChIInChI=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)/p-1/t9-,10-,13+,14+,15-,16-/m1/s1
InChIKeyJUZNIMUFDBIJCM-ANEDZVCMSA-M
ChEBI Ontology
Outgoing Relation(s)
ertapenem(1−) (CHEBI:60071) is a carboxylic acid anion (CHEBI:29067)
ertapenem(1−) (CHEBI:60071) is conjugate base of ertapenem (CHEBI:404903)
Incoming Relation(s)
ertapenem sodium (CHEBI:60070) has part ertapenem(1−) (CHEBI:60071)
ertapenem (CHEBI:404903) is conjugate acid of ertapenem(1−) (CHEBI:60071)
Registry NumbersSources
Beilstein:8177331Beilstein