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CHEBI:143771 - Fe(III)-di(C-5-deoxy-β-D-glucosyl)-enterobactin(3−)
| Formula | C42H41FeN3O25 |
| Net Charge | -3 |
| Average Mass | 1043.631 |
| Monoisotopic Mass | 1043.13950 |
| 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]4)[O]c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(c1[O]5)C(=O)N3 |
| InChI | InChI=1S/C42H47N3O25.Fe/c46-8-24-29(54)31(56)33(58)35(69-24)13-4-16(27(52)22(49)6-13)38(61)44-19-11-67-40(63)18(43-37(60)15-2-1-3-21(48)26(15)51)10-66-41(64)20(12-68-42(19)65)45-39(62)17-5-14(7-23(50)28(17)53)36-34(59)32(57)30(55)25(9-47)70-36;/h1-7,18-20,24-25,29-36,46-59H,8-12H2,(H,43,60)(H,44,61)(H,45,62);/q;+3/p-6/t18-,19-,20-,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-;/m0./s1 |
| InChIKey | GDDKOOSAVSOPQR-GYQOYKAHSA-H |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fe(III)-di(C-5-deoxy-β-D-glucosyl)-enterobactin(3−) (CHEBI:143771) has functional parent enterobactin(6−) (CHEBI:38150) |
| Fe(III)-di(C-5-deoxy-β-D-glucosyl)-enterobactin(3−) (CHEBI:143771) is a iron coordination entity (CHEBI:33892) |
| Fe(III)-di(C-5-deoxy-β-D-glucosyl)-enterobactin(3−) (CHEBI:143771) is a organic anion (CHEBI:25696) |
| Synonym | Source |
|---|---|
| Fe(III)-DGE | SUBMITTER |
| UniProt Name | Source |
|---|---|
| Fe(III)-di(C-5-deoxy-β-D-glucosyl)-enterobactin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-21591 | MetaCyc |
| Citations |
|---|