CHEBI:77893 - 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−)
ChEBI ID CHEBI:77893
ChEBI ASCII Name 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-)
Definition A monocarboxylic acid anion that is the conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C6H7N2O3
Net Charge -1
Average Mass 155.13190
Monoisotopic Mass 155.04622
InChI InChI=1S/C6H7N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3H,1-2H2,(H,9,10)(H,7,8,11)/q-1
InChIKey MYNHYKDPSRPBNZ-UHFFFAOYSA-N
SMILES [O-]C(=O)CC[c-]1[nH]c[nH+]c1=O
ChEBI Ontology
Outgoing 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−) (CHEBI:77893) is a monocarboxylic acid anion (CHEBI:35757)
3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−) (CHEBI:77893) is conjugate acid of 5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide (CHEBI:57255)
3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−) (CHEBI:77893) is conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid (CHEBI:27384)
Incoming 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid (CHEBI:27384) is conjugate acid of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−) (CHEBI:77893)
5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide (CHEBI:57255) is conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1−) (CHEBI:77893)
IUPAC Name
3-(4-oxo-4,5-dihydro-1H-imidazol-3-ium-5-id-5-yl)propanoate
Synonym Source
4-imidazolone-5-propanoate UniProt
Last Modified
11 June 2014