Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:24:59 UTC
Update Date2022-08-31 06:26:46 UTC
Metabolite IDMMDBc0007118
Metabolite Identification
Common NameVulnibactin 2
DescriptionVulnibactin 2 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. Based on a literature review very few articles have been published on Vulnibactin 2.
Structure
SynonymsNot Available
Molecular FormulaC11H11NO4
Average Mass221.212
Monoisotopic Mass221.068807838
IUPAC Name2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
Traditional Name2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CAS Registry NumberNot Available
SMILES
CC1OC(=NC1C(O)=O)C1=CC=CC=C1O
InChI Identifier
InChI=1S/C11H11NO4/c1-6-9(11(14)15)12-10(16-6)7-4-2-3-5-8(7)13/h2-6,9,13H,1H3,(H,14,15)
InChI KeyRLUVVLOFTLKEDG-UHFFFAOYSA-N