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CHEBI:147433 - glutathionyl-caftaric acid

ChEBI IDCHEBI:147433
ChEBI Nameglutathionyl-caftaric acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC23H27N3O15S
Net Charge0
Average Mass617.542
Monoisotopic Mass617.11629
SMILESNC(CCC(=O)NC(CSc1cc(/C=C/C(=O)OC(C(=O)O)C(O)C(=O)O)cc(O)c1O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C23H27N3O15S/c24-10(21(35)36)2-3-14(28)26-11(20(34)25-7-15(29)30)8-42-13-6-9(5-12(27)17(13)32)1-4-16(31)41-19(23(39)40)18(33)22(37)38/h1,4-6,10-11,18-19,27,32-33H,2-3,7-8,24H2,(H,25,34)(H,26,28)(H,29,30)(H,35,36)(H,37,38)(H,39,40)/b4-1+
InChIKeyGYXGDEQYOIGEEQ-DAFODLJHSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) Wine (NCIT:C66822) PubMed (24097399)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
glutathionyl-caftaric acid (CHEBI:147433) is a oligopeptide (CHEBI:25676)