CHEBI:60071 - ertapenem(1−)

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ChEBI Name ertapenem(1−)
ChEBI ID CHEBI:60071
ChEBI ASCII Name ertapenem(1-)
Definition The mono-anion resulting from the removal of a proton from one of the carboxyic acid groups of ertapenem.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H24N3O7S
Net Charge -1
Average Mass 474.50700
Monoisotopic Mass 474.13404
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)/p-1/t9-,10-,13+,14+,15-,16-/m1/s1
InChIKey JUZNIMUFDBIJCM-ANEDZVCMSA-M
SMILES [H][C@]1(C[NH2+][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
ChEBI Ontology
Outgoing ertapenem(1−) (CHEBI:60071) is a carboxylic acid anion (CHEBI:29067)
ertapenem(1−) (CHEBI:60071) is conjugate base of ertapenem (CHEBI:404903)
Incoming ertapenem sodium (CHEBI:60070) has part ertapenem(1−) (CHEBI:60071)
ertapenem (CHEBI:404903) is conjugate acid of ertapenem(1−) (CHEBI:60071)
Registry Number Type Source
8177331 Beilstein Registry Number Beilstein
Last Modified
17 August 2010