public_id

FDB031218

IUPAC 名称

(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-N-[2-({2-[(2E,4Z)-deca-2,4-dienoylsulfanyl]ethyl}carboximidato)ethyl]-2-hydroxy-3,3-dimethylbutanecarboximidate

描述

Trans-Δ2, cis-Δ4-decadienoyl-coa is also known as (2e,4z)-decadienoyl-coa. Trans-Δ2, cis-Δ4-decadienoyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Trans-Δ2, cis-Δ4-decadienoyl-coa can be found in a number of food items such as tartary buckwheat, bitter gourd, mulberry, and ginger, which makes trans-Δ2, cis-Δ4-decadienoyl-coa a potential biomarker for the consumption of these food products.

CAS号

异构

[H]\C(CCCCC)=C(/[H])\C(\[H])=C(/[H])C(=O)SCCN=C([O-])CCN=C([O-])[C@]([H])(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])OP([O-])([O-])=O

InChI标识符

InChI=1S/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18-36-28(23)38/h8-11,18-20,24-26,30,41-42H,4-7,12-17H2,1-3H3,(H,33,39)(H,34,43)(H,47,48)(H,49,50)(H2,32,35,36)(H2,44,45,46)/p-4/b9-8-,11-10+/t20-,24-,25-,26+,30-/m1/s1

键

FASAKYLWSRDQOH-IMVFQKDNSA-J

平均分子量

913.190569537

id

31381

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