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CHEBI:143023 - [N-(2,3-dihydroxybenzoyl)-L-seryl]2-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine

Default Structure
ChEBI IDCHEBI:143023
ChEBI Name[N-(2,3-dihydroxybenzoyl)-L-seryl]2-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine
Stars
ASCII Name[N-(2,3-dihydroxybenzoyl)-L-seryl]2-N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H38N3O21
Net Charge-1
Average Mass848.700
Monoisotopic Mass848.20033
SMILESO=C(N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)c1cccc(O)c1O)NC(=O)c1cccc(O)c1O)C(=O)[O-])c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O
InChIInChI=1S/C36H39N3O21/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)/p-1/t17-,18-,19-,23+,27+,28-,29+,30-/m0/s1
InChIKeyBVNRZRVHEIZRPP-AEZKMRPASA-M
ChEBI Ontology
Outgoing Relation(s)
[N-(2,3-dihydroxybenzoyl)-L-seryl]2-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine (CHEBI:143023) is a organic molecular entity (CHEBI:50860)
Incoming Relation(s)
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)
UniProt Name  Source
[N-(2,3-dihydroxybenzoyl)-L-seryl]2-N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serineUniProt
Manual XrefsDatabases
CPD-21583MetaCyc
Citations