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CHEBI:28199 - ferrienterobactin(3−)

ChEBI IDCHEBI:28199
ChEBI Nameferrienterobactin(3−)
Stars
ASCII Nameferrienterobactin(3-)
DefinitionIron (Fe3+) siderophore
Secondary ChEBI IDsCHEBI:4993, CHEBI:21133, CHEBI:144426
Last Modified12 July 2022
SubmitterSandra Orchard
DownloadsMolfile

FormulaC30H21FeN3O15
Net Charge-3
Average Mass719.349
Monoisotopic Mass719.03385
SMILES[H][C@]12COC(=O)[C@]3([H])COC(=O)[C@]([H])(COC1=O)NC(=O)c1cccc4c1[O][Fe-3]15([O]c6cccc(c6[O]1)C(=O)N2)([O]c1cccc(c1[O]5)C(=O)N3)[O]4
InChIInChI=1S/C30H27N3O15.Fe/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38;/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42);/q;+3/p-6/t16-,17-,18-;/m0./s1
InChIKeyNGILTSZTOFYVBF-UVJOBNTFSA-H

Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification

ChEBI Ontology
IUPAC Names 
{N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato]}ferrate(3−)
{N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-κO)benzamidato](6−)}ferrate(3−)
Synonyms  Source
Fe-enterobactinKEGG COMPOUND
[Fe(ent)]3−ChEBI
ferrienterobactinChemIDplus
ferrienterochelinChemIDplus
ferric enterobactinChEBI
FeEntChEBI
UniProt Name  Source
Fe(III)-enterobactinUniProt
Manual XrefsDatabases
C06230KEGG COMPOUND
FERRIC-ENTEROBACTIN-COMPLEXMetaCyc
Registry NumbersSources
Gmelin:2494246Gmelin
Gmelin:885856Gmelin
CAS:61481-53-6ChemIDplus
Citations