Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 00:38:02 UTC
Update Date2022-08-31 06:27:14 UTC
Metabolite IDMMDBc0007471
Metabolite Identification
Common NameVulnibactin
DescriptionVulnibactin belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid. Based on a literature review very few articles have been published on Vulnibactin.
Structure
Synonyms
ValueSource
N-(3-(2,3-Dihydroxybenzamido)propyl)--1,3-bis(2-(2-hydroxyphenyl)-5-methyl-2-oxazoline-4-carboxamido)propaneMeSH
Molecular FormulaC35H39N5O9
Average Mass673.723
Monoisotopic Mass673.274777856
IUPAC Name2,3-dihydroxy-N-(3-{N-[3-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]methylidene}amino)propyl]-1-[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}propyl)benzene-1-carboximidic acid
Traditional Name2,3-dihydroxy-N-(3-{N-[3-({hydroxy[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]methylidene}amino)propyl]-1-[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}propyl)benzenecarboximidic acid
CAS Registry NumberNot Available
SMILES
CC1OC(=NC1C(O)=NCCCN(CCCN=C(O)C1=C(O)C(O)=CC=C1)C(=O)C1N=C(OC1C)C1=CC=CC=C1O)C1=CC=CC=C1O
InChI Identifier
InChI=1S/C35H39N5O9/c1-20-28(38-33(48-20)22-10-3-5-13-25(22)41)32(46)37-17-9-19-40(18-8-16-36-31(45)24-12-7-15-27(43)30(24)44)35(47)29-21(2)49-34(39-29)23-11-4-6-14-26(23)42/h3-7,10-15,20-21,28-29,41-44H,8-9,16-19H2,1-2H3,(H,36,45)(H,37,46)
InChI KeyCYQRDZPBFHTFJZ-UHFFFAOYSA-N