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CHEBI:38151 - ferrienterobactin

ChEBI IDCHEBI:38151
ChEBI Nameferrienterobactin
Stars
DefinitionAn iron chelate that is (3S,7S,11S)-3,7,11-triamino-1,5,9-trioxacyclododecane-2,6,10-trione in which each nitrogen has been acylated by a 2,3-dihydroxybenzoyl group, the six phenolic oxygen atoms being coordinated to Fe(III).
Secondary ChEBI IDCHEBI:70745
Last Modified10 February 2015
SubmitterKAX, Kirill Degtyarenko
DownloadsMolfile
FormulaC30H24FeN3O15
Net Charge0
Average Mass722.373
Monoisotopic Mass722.05568
SMILES[H][C@]12COC(=O)[C@]3([H])COC(=O)[C@]([H])(COC1=O)[NH2+]C(=O)c1cccc4c1[O][Fe-3]15([O]c6cccc(c6[O]1)C(=O)[NH2+]2)([O]c1cccc(c1[O]5)C(=O)[NH2+]3)[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-3/t16-,17-,18-;/m0./s1
InChIKeyNGILTSZTOFYVBF-UVJOBNTFSA-K
ChEBI Ontology
Outgoing Relation(s)
ferrienterobactin (CHEBI:38151) is a Fe(III)-complexed siderophore (CHEBI:84734)
ferrienterobactin (CHEBI:38151) is conjugate acid of ferrienterobactin(3−) (CHEBI:28199)
Incoming Relation(s)
ferrienterobactin(3−) (CHEBI:28199) is conjugate base of ferrienterobactin (CHEBI:38151)
IUPAC Name 
trihydrogen {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  Source
ferric enterochelinChemIDplus
ferrienterochelinChemIDplus
[Fe(H3ent)]ChEBI
Registry NumbersSources
Gmelin:2492797Gmelin
Gmelin:2494966Gmelin
CAS:62280-34-6ChemIDplus
Citations