public_id

FDB030477

IUPAC 名称

(3Z,6S)-6-amino-4-[(E)-2-hydroxyethenyl]-2-oxohept-3-enedioic acid

描述

4,5-seco-dopa is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. 4,5-seco-dopa is practically insoluble (in water) and a moderately acidic compound (based on its pKa). 4,5-seco-dopa can be found in a number of food items such as safflower, yautia, pitanga, and anise, which makes 4,5-seco-dopa a potential biomarker for the consumption of these food products.

CAS号

异构

[H]C(O)=C([H])C(\C[C@]([H])(N)C(O)=O)=C(\[H])C(=O)C(O)=O

InChI标识符

InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,11H,3,10H2,(H,13,14)(H,15,16)/b2-1+,5-4+/t6-/m0/s1

键

PIYTUGMLAKPQKI-OMQYJPGKSA-N

平均分子量

229.058637078

id

30640

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