Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:55:55 UTC
Update Date2022-08-31 06:44:27 UTC
Metabolite IDMMDBc0018759
Metabolite Identification
Common NameAcinetobactin
Description2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. 2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide is a very strong basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC16H18N4O5
Average Mass346.343
Monoisotopic Mass346.127719696
IUPAC Name2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Traditional Name2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-4-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
CAS Registry NumberNot Available
SMILES
CC1OC(=NC1C(=O)N(O)CCC1=CNC=N1)C1=CC=CC(O)=C1O
InChI Identifier
InChI=1S/C16H18N4O5/c1-9-13(16(23)20(24)6-5-10-7-17-8-18-10)19-15(25-9)11-3-2-4-12(21)14(11)22/h2-4,7-9,13,21-22,24H,5-6H2,1H3,(H,17,18)
InChI KeyFCWIGDCVHNNXFS-UHFFFAOYSA-N