3-oxoadipyl-CoA,化合物成分

3-oxoadipyl-CoA

public_id

FDB030457

IUPAC 名称

6-({2-[3-(4-{[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}-2-hydroxy-3,3-dimethylbutanamido)propanamido]ethyl}sulfanyl)-4,6-dioxohexanoate

描述

3-oxoadipyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-oxoadipyl-coa can be found in a number of food items such as jew's ear, black crowberry, almond, and fig, which makes 3-oxoadipyl-coa a potential biomarker for the consumption of these food products.

CAS号

异构

CC(C)(COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC([O-])=O

InChI标识符

InChI=1S/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32-24(19)34/h12-13,15,20-22,26,40-41H,3-11H2,1-2H3,(H,29,36)(H,30,42)(H,37,38)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5

键

VKKKAAPGXHWXOO-UHFFFAOYSA-I

平均分子量

904.105436687

id

30620

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