CHEBI:143774 - Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(4−)

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ChEBI Name Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(4−)
ChEBI ID CHEBI:143774
ChEBI ASCII Name Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serinate}(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C36H32FeN3O21
Net Charge -4
Average Mass 898.499
Monoisotopic Mass 898.08996
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
SMILES C1([C@H](CO)NC(=O)C2=C3C(=CC=C2)O[Fe-3]456(OC=7C(=C(C=CC7)C(=O)N[C@H](C(OC[C@@H](C([O-])=O)NC(=O)C8=C(C(=CC(=C8)[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O4)O5)=O)CO1)O6)O3)=O
ChEBI Ontology
Outgoing 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)
Synonym Source
Fe(III)-{di[N-(2,3-dihydroxybenzoyl)-L-seryl]-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine} UniProt
Manual Xref Database
CPD-21611 MetaCyc accession
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Citation Waiting for Citations Type Source
16076215 PubMed citation SUBMITTER