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CHEBI:143773 - Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2}(4−)

Default Structure
ChEBI IDCHEBI:143773
ChEBI NameFe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2}(4−)
Stars
ASCII NameFe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2}(4-)
DefinitionThe name is a guess. Major species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H42FeN3O26
Net Charge-4
Average Mass1060.638
Monoisotopic Mass1060.14279
SMILESO=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]c1cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(c1[O]5)C(=O)N2
InChIInChI=1S/C42H49N3O26.Fe/c46-8-18(43-37(61)15-2-1-3-21(49)26(15)52)41(66)69-12-20(45-39(63)17-5-14(7-23(51)28(17)54)36-34(60)32(58)30(56)25(10-48)71-36)42(67)68-11-19(40(64)65)44-38(62)16-4-13(6-22(50)27(16)53)35-33(59)31(57)29(55)24(9-47)70-35;/h1-7,18-20,24-25,29-36,46-60H,8-12H2,(H,43,61)(H,44,62)(H,45,63)(H,64,65);/q;+3/p-7/t18-,19-,20-,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-;/m0./s1
InChIKeyTVPDLHGLFXAKQV-GYQOYKAHSA-G
ChEBI Ontology
Outgoing Relation(s)
Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2}(4−) (CHEBI:143773) has functional parent N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2 (CHEBI:143022)
Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2}(4−) (CHEBI:143773) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
Fe(III)-{N-(2,3-dihydroxybenzoyl)-L-seryl-[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]2}UniProt
Manual XrefsDatabases
CPD-21607MetaCyc
Citations