MSI_000027471

Unreliable

排名分数: 1.98
参考来源: Mus musculus (UBERON:0000913: interstitial fluid)

M/z: 618.1131
Mass Window: 618.1131 ~ 618.1131 (none)

参考注释

2-S-Glutathionyl caftaric acid_[M+H]+ (BioDeep_00000226700)
2-{[(2E)-3-[2-({2-[(4-amino-4-carboxy-1-hydroxybutylidene)amino]-2-[(carboxymethyl)-C-hydroxycarbonimidoyl]ethyl}sulphanyl)-3,4-dihydroxyphenyl]prop-2-enoyl]oxy}-3-hydroxybutanedioic acid

Formula: C23H27N3O15S (617.1162832000001)
SMILES: NC(CCC(=O)NC(CSC1=C(\C=C\C(=O)OC(C(O)C(O)=O)C(O)=O)C=CC(O)=C1O)C(=O)NCC(O)=O)C(O)=O

2-s-glutathionyl caftaric acid is a member of the class of compounds known as oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 2-s-glutathionyl caftaric acid is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 2-s-glutathionyl caftaric acid can be found in common grape, grape wine, and vinegar, which makes 2-s-glutathionyl caftaric acid a potential biomarker for the consumption of these food products.