EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:143774 - Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(4−)
| Formula | C36H32FeN3O21 |
| Net Charge | -4 |
| Average Mass | 898.497 |
| Monoisotopic Mass | 898.08996 |
| SMILES | O=C1N[C@H](C(=O)[O-])COC(=O)[C@@H]2COC(=O)[C@H](CO)NC(=O)c3cccc4c3[O][Fe-3]35([O]c6cc([C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)cc1c6[O]3)([O]4)[O]c1cccc(c1[O]5)C(=O)N2 |
| InChI | InChI=1S/C36H39N3O21.Fe/c40-9-17(37-31(51)14-3-1-5-20(42)24(14)45)35(56)59-12-19(39-32(52)15-4-2-6-21(43)25(15)46)36(57)58-11-18(34(54)55)38-33(53)16-7-13(8-22(44)26(16)47)30-29(50)28(49)27(48)23(10-41)60-30;/h1-8,17-19,23,27-30,40-50H,9-12H2,(H,37,51)(H,38,53)(H,39,52)(H,54,55);/q;+3/p-7/t17-,18-,19-,23+,27+,28-,29+,30-;/m0./s1 |
| InChIKey | RMPVXFYPPIKQLJ-LNWNQGHSSA-G |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(4−) (CHEBI:143774) has functional parent [N-(2,3-dihydroxybenzoyl)-L-seryl]2-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine (CHEBI:143023) |
| Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(4−) (CHEBI:143774) is a organic molecular entity (CHEBI:50860) |
| UniProt Name | Source |
|---|---|
| Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine} | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-21611 | MetaCyc |
| Citations |
|---|