EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:143021 - [N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3

Default Structure
ChEBI IDCHEBI:143021
ChEBI Name[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3
Stars
ASCII Name[N-(C-5-[deoxy-beta-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3
DefinitionThis name is a guess. Please correct as necessary
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC48H58N3O31
Net Charge-1
Average Mass1172.982
Monoisotopic Mass1172.30598
SMILESO=C(N[C@@H](COC(=O)[C@H](COC(=O)[C@H](CO)NC(=O)c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O)NC(=O)c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(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/C48H59N3O31/c52-7-19(49-43(71)16-1-13(4-22(56)28(16)59)40-37(68)34(65)31(62)25(8-53)80-40)47(76)79-12-21(51-45(73)18-3-15(6-24(58)30(18)61)42-39(70)36(67)33(64)27(10-55)82-42)48(77)78-11-20(46(74)75)50-44(72)17-2-14(5-23(57)29(17)60)41-38(69)35(66)32(63)26(9-54)81-41/h1-6,19-21,25-27,31-42,52-70H,7-12H2,(H,49,71)(H,50,72)(H,51,73)(H,74,75)/p-1/t19-,20-,21-,25+,26+,27+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-/m0/s1
InChIKeyZSWUFDUOFUXWEE-DXZSBXLRSA-M
ChEBI Ontology
Outgoing Relation(s)
[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3 (CHEBI:143021) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
[N-(C-5-[deoxy-β-D-glucosyl]-2,3-dihydroxybenzoyl)-L-serine]3UniProt
Manual XrefsDatabases
CPD-21588MetaCyc
Citations