EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143776 - Fe(III)-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2(2−)

Default Structure
ChEBI IDCHEBI:143776
ChEBI NameFe(III)-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2(2−)
Stars
ASCII NameFe(III)-[N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H35FeN2O21
Net Charge-2
Average Mass839.470
Monoisotopic Mass839.10927
SMILESO=C1N[C@H](C(=O)[O-])COC(=O)[C@H](CO)NC(=O)c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2[O][Fe-]2([O]c4cc([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc1c4[O]2)[O]3
InChIInChI=1S/C32H40N2O21.Fe/c35-5-13(33-29(48)11-1-9(3-15(38)19(11)40)27-25(46)23(44)21(42)17(6-36)54-27)32(52)53-8-14(31(50)51)34-30(49)12-2-10(4-16(39)20(12)41)28-26(47)24(45)22(43)18(7-37)55-28;/h1-4,13-14,17-18,21-28,35-47H,5-8H2,(H,33,48)(H,34,49)(H,50,51);/q;+3/p-5/t13-,14-,17+,18+,21+,22+,23-,24-,25+,26+,27-,28-;/m0./s1
InChIKeyGCFJENJKAKJHRU-YOSWHHHASA-I
ChEBI Ontology
Outgoing Relation(s)
Fe(III)-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2(2−) (CHEBI:143776) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
Fe(III)-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2UniProt
Manual XrefsDatabases
CPD-21585MetaCyc
Citations