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CHEBI:143772 - Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin(3−)
| Formula | C36H31FeN3O20 |
| Net Charge | -3 |
| Average Mass | 881.490 |
| Monoisotopic Mass | 881.08667 |
| SMILES | [H][C@]12COC(=O)[C@]3([H])COC(=O)[C@]([H])(COC1=O)NC(=O)c1cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c1[O][Fe-3]15([O]c6cccc(c6[O]1)C(=O)N2)([O]c1cccc(c1[O]5)C(=O)N3)[O]4 |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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) |
| UniProt Name | Source |
|---|---|
| Fe(III)-C-5-deoxy-β-D-glucosyl-enterobactin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-21610 | MetaCyc |
| Citations |
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