CHEBI:166515 - 1-Carboxymethylmetronidazole

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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 1-Carboxymethylmetronidazole
ChEBI ID CHEBI:166515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
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Formula C6H7N3O4
Net Charge 0
Average Mass 185.139
Monoisotopic Mass 185.04366
InChI InChI=1S/C6H7N3O4/c1-4-7-2-5(9(12)13)8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)
InChIKey RVEGZXNRNWUYKI-UHFFFAOYSA-N
SMILES OC(=O)CN1C(=NC=C1[N+]([O-])=O)C
ChEBI Ontology
Outgoing 1-Carboxymethylmetronidazole (CHEBI:166515) has functional parent α-amino acid (CHEBI:33704)
1-Carboxymethylmetronidazole (CHEBI:166515) is a organonitrogen compound (CHEBI:35352)
1-Carboxymethylmetronidazole (CHEBI:166515) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-(2-methyl-5-nitroimidazol-1-yl)acetic acid
Manual Xref Database
103119 ChemSpider
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Registry Number Type Source
1010-93-1 CAS Registry Number ChemIDplus