EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C30H22FeN3O16 |
| Net Charge | -4 |
| Average Mass | 736.356 |
| Monoisotopic Mass | 736.03714 |
| 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]c6cccc1c6[O]3)([O]4)[O]c1cccc(c1[O]5)C(=O)N2 |
| InChI | InChI=1S/C30H29N3O16.Fe/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39;/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45);/q;+3/p-7/t16-,17-,18-;/m0./s1 |
| InChIKey | QNAUHHROLOGFEY-UVJOBNTFSA-G |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Fe(III)-[N-(2,3-dihydroxybenzoyl)-L-serine]3 (CHEBI:143011) is a iron coordination entity (CHEBI:33892) |
| UniProt Name | Source |
|---|---|
| Fe(III)-[N-(2,3-dihydroxybenzoyl)-L-serine]3 | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD0-2482 | MetaCyc |
| Citations |
|---|