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CHEBI:203864 - Vulnibactin

ChEBI IDCHEBI:203864
ChEBI NameVulnibactin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H39N5O9
Net Charge0
Average Mass673.723
Monoisotopic Mass673.27478
SMILESCC1OC(c2ccccc2O)=NC1C(=O)NCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)C1N=C(c2ccccc2O)OC1C
InChIInChI=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)
InChIKeyCYQRDZPBFHTFJZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Vibrio vulnificus (ncbitaxon:672) - PubMed (8148612)
ChEBI Ontology
Outgoing Relation(s)
Vulnibactin (CHEBI:203864) is a salicylamides (CHEBI:53443)
IUPAC Name 
N-[3-[3-[(2,3-dihydroxybenzoyl)amino]propyl-[2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
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