CHEBI:28199 - ferrienterobactin(3−)

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ChEBI Name ferrienterobactin(3−)
ChEBI ID CHEBI:28199
ChEBI ASCII Name ferrienterobactin(3-)
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:21133, CHEBI:4993
Supplier Information
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Formula C30H21FeN3O15
Net Charge -3
Average Mass 719.34396
Monoisotopic Mass 719.03385
InChI InChI=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
InChIKey NGILTSZTOFYVBF-UVJOBNTFSA-H
SMILES [H][C@]12COC(=O)[C@]3([H])COC(=O)[C@]([H])(COC1=O)NC(=O)c1cccc4O[Fe-3]56(Oc7cccc(C(=O)N2)c7O5)(Oc2cccc(C(=O)N3)c2O6)Oc14
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ferrienterobactin(3−) (CHEBI:28199) has part enterobactin(6−) (CHEBI:38150)
ferrienterobactin(3−) (CHEBI:28199) has role Escherichia coli metabolite (CHEBI:76971)
ferrienterobactin(3−) (CHEBI:28199) is a iron coordination entity (CHEBI:33892)
ferrienterobactin(3−) (CHEBI:28199) is a organic anion (CHEBI:25696)
ferrienterobactin(3−) (CHEBI:28199) is conjugate base of ferrienterobactin (CHEBI:38151)
Incoming ferrienterobactin (CHEBI:38151) is conjugate acid of ferrienterobactin(3−) (CHEBI:28199)
IUPAC Name
{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−)
Synonyms Sources
[Fe(ent)]3− ChEBI
Fe(III)-enterobactin UniProt
Fe-enterobactin KEGG COMPOUND
Manual Xref Database
C06230 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
2494246 Gmelin Registry Number Gmelin
885856 Gmelin Registry Number Gmelin
Last Modified
08 December 2018