CHEBI:143772 - Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−)
ChEBI ID CHEBI:143772
ChEBI ASCII Name Fe(III)-C-5-deoxy-beta-D-glucosyl-enterobactin(3-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C36H31FeN3O20
Net Charge -3
Average Mass 881.492
Monoisotopic Mass 881.08667
InChI InChI=1S/C36H37N3O20.Fe/c40-9-23-27(47)28(48)29(49)30(59-23)13-7-16(26(46)22(43)8-13)33(52)39-19-12-58-35(54)17(37-31(50)14-3-1-5-20(41)24(14)44)10-56-34(53)18(11-57-36(19)55)38-32(51)15-4-2-6-21(42)25(15)45;/h1-8,17-19,23,27-30,40-49H,9-12H2,(H,37,50)(H,38,51)(H,39,52);/q;+3/p-6/t17-,18-,19-,23+,27+,28-,29+,30-;/m0./s1
InChIKey UJGYDVQMCBVHLD-LNWNQGHSSA-H
SMILES C1(N[C@]2(COC([C@@]3(COC([C@]([H])(COC2=O)NC(C4=C5C(O[Fe-3]67(OC8=C(C(N3)=O)C=C(C=C8O6)[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)(O5)OC%10=C1C=CC=C%10O7)=CC=C4)=O)=O)[H])=O)[H])=O
ChEBI Ontology
Outgoing Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−) (CHEBI:143772) has functional parent enterobactin(6−) (CHEBI:38150)
Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−) (CHEBI:143772) is a iron coordination entity (CHEBI:33892)
Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−) (CHEBI:143772) is a organic anion (CHEBI:25696)
Synonym Source
Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin UniProt
Manual Xref Database
CPD-21610 MetaCyc accession
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Citation Waiting for Citations Type Source
16076215 PubMed citation SUBMITTER