CHEBI:147433 - glutathionyl-caftaric acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name glutathionyl-caftaric acid
ChEBI ID CHEBI:147433
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O15S
Net Charge 0
Average Mass 617.540
Monoisotopic Mass 617.11629
InChI InChI=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+
InChIKey GYXGDEQYOIGEEQ-DAFODLJHSA-N
SMILES S(CC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C1=CC(=CC(O)=C1O)/C=C/C(OC(C(O)C(O)=O)C(O)=O)=O
Metabolite of Species Details
Vitis vinifera (NCBI:txid29760) Found in Wine See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glutathionyl-caftaric acid (CHEBI:147433) is a oligopeptide (CHEBI:25676)