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CHEBI:143775 - Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(2−)

Default Structure
ChEBI IDCHEBI:143775
ChEBI NameFe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(2−)
Stars
ASCII NameFe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H25FeN2O16
Net Charge-2
Average Mass677.329
Monoisotopic Mass677.05644
SMILESO=C1N[C@H](C(=O)[O-])COC(=O)[C@H](CO)NC(=O)c2cccc3c2[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/C26H30N2O16.Fe/c29-6-12(27-23(38)10-2-1-3-14(31)17(10)33)26(42)43-8-13(25(40)41)28-24(39)11-4-9(5-15(32)18(11)34)22-21(37)20(36)19(35)16(7-30)44-22;/h1-5,12-13,16,19-22,29-37H,6-8H2,(H,27,38)(H,28,39)(H,40,41);/q;+3/p-5/t12-,13-,16+,19+,20-,21+,22-;/m0./s1
InChIKeyTZDNYZWVPMIXNW-GKECYKDFSA-I
ChEBI Ontology
Outgoing Relation(s)
Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(2−) (CHEBI:143775) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Fe3+-(salmochelin S1) complexSUBMITTER
UniProt Name  Source
Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine}UniProt
Manual XrefsDatabases
CPD-21609MetaCyc
Citations