2-(7'-methylthio)heptylmalate,化合物成分

2-(7'-methylthio)heptylmalate

public_id

FDB030314

IUPAC 名称

2-hydroxy-2-[7-(methylsulfanyl)heptyl]butanedioate

描述

2-(7'-methylthio)heptylmalate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 2-(7'-methylthio)heptylmalate can be found in a number of food items such as lima bean, redcurrant, butternut, and green zucchini, which makes 2-(7'-methylthio)heptylmalate a potential biomarker for the consumption of these food products.

CAS号

异构

CSCCCCCCCC(O)(CC([O-])=O)C([O-])=O

InChI标识符

InChI=1S/C12H22O5S/c1-18-8-6-4-2-3-5-7-12(17,11(15)16)9-10(13)14/h17H,2-9H2,1H3,(H,13,14)(H,15,16)/p-2

键

PWAKELUEEHWVFQ-UHFFFAOYSA-L

平均分子量

276.104242078

id

30477

含有化合物的食物

食物id	食物名称
137	Anise
1	Angelica
445	American pokeweed
192	American cranberry
319	American butterfish
289	Amaranth
412	Alpine sweetvetch
148	Almond
288	Allspice
5	Allium
287	Alfalfa
551	Alaska wild rhubarb
385	Alaska blueberry
577	Agave
285	Agar
198	Adzuki bean
283	Acorn
282	Acerola
281	Abiyuch
280	Abalone