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CHEBI:182213 - Arthrobactin

ChEBI IDCHEBI:182213
ChEBI NameArthrobactin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36N4O9
Net Charge0
Average Mass476.527
Monoisotopic Mass476.24823
SMILESCC(=O)N(O)CCCCCNC(=O)CC(O)(CC(=O)NCCCCCN(O)C(C)=O)C(=O)O
InChIInChI=1S/C20H36N4O9/c1-15(25)23(32)11-7-3-5-9-21-17(27)13-20(31,19(29)30)14-18(28)22-10-6-4-8-12-24(33)16(2)26/h31-33H,3-14H2,1-2H3,(H,21,27)(H,22,28)(H,29,30)
InChIKeyBPEXJHGGARTCIR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Arthrobactin (CHEBI:182213) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
4-[5-[acetyl(hydroxy)amino]pentylamino]-2-[2-[5-[acetyl(hydroxy)amino]pentylamino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
168167ChemSpider
Registry NumbersSources
CAS:39007-57-3ChemIDplus