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CHEBI:212644 - Vulnibactin 3

Default Structure
ChEBI IDCHEBI:212644
ChEBI NameVulnibactin 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30N4O6
Net Charge0
Average Mass470.526
Monoisotopic Mass470.21653
SMILESCC1OC(c2ccccc2O)=NC1C(=O)NCCCNCCCNC(=O)c1cccc(O)c1O
InChIInChI=1S/C24H30N4O6/c1-15-20(28-24(34-15)16-7-2-3-9-18(16)29)23(33)27-14-6-12-25-11-5-13-26-22(32)17-8-4-10-19(30)21(17)31/h2-4,7-10,15,20,25,29-31H,5-6,11-14H2,1H3,(H,26,32)(H,27,33)
InChIKeyOPCNBYUJAGAASS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vibrio vulnificus (ncbitaxon:672) - PubMed (8148612)
ChEBI Ontology
Outgoing Relation(s)
Vulnibactin 3 (CHEBI:212644) is a salicylamides (CHEBI:53443)
IUPAC Name 
N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propylamino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Manual XrefsDatabases
78435113ChemSpider