CHEBI:38151 - ferrienterobactin

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ChEBI Name ferrienterobactin ChEBI ID CHEBI:38151 Definition An 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). Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Secondary ChEBI IDs CHEBI:70745 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H24FeN3O15 Net Charge 0 Average Mass 722.36800 Monoisotopic Mass 722.05568 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-3/t16-,17-,18-;/m0./s1 InChIKey NGILTSZTOFYVBF-UVJOBNTFSA-K SMILES [H][C@]12COC(=O)[C@]3([H])COC(=O)[C@]([H])(COC1=O)[NH2+]C(=O)c1cccc4O[Fe-3]56(Oc7cccc(C(=O)[NH2+]2)c7O5)(Oc2cccc(C(=O)[NH2+]3)c2O6)Oc14 ChEBI Ontology Outgoing ferrienterobactin (CHEBI:38151) is a Fe(III)-complexed siderophore (CHEBI:84734) ferrienterobactin (CHEBI:38151) is conjugate acid of ferrienterobactin(3−) (CHEBI:28199) Incoming 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 Sources [Fe(H3ent)] ChEBI ferric enterochelin ChemIDplus ferrienterochelin ChemIDplus Registry Numbers Types Sources 2492797 Gmelin Registry Number Gmelin 2494966 Gmelin Registry Number Gmelin 62280-34-6 CAS Registry Number ChemIDplus Citations Types Sources 10515929 PubMed citation Europe PMC 139147 PubMed citation Europe PMC 140161 PubMed citation Europe PMC 146699 PubMed citation Europe PMC 1534808 PubMed citation SUBMITTER 153899 PubMed citation Europe PMC 2958600 PubMed citation Europe PMC 3015941 PubMed citation Europe PMC 6223021 PubMed citation Europe PMC 6452414 PubMed citation Europe PMC Last Modified 10 February 2015