public_id

FDB031081

IUPAC 名称

(2R)-4-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-(hydrogen phosphonatooxy)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-2-hydroxy-3,3-dimethyl-N-{2-[(2-{[3-(4-oxidophenyl)propanoyl]sulfanyl}ethyl)carboximidato]ethyl}butanecarboximidate

描述

P-dihydrocoumaroyl-coa is also known as 4-hydroxydihydrocinnamoyl-coa. P-dihydrocoumaroyl-coa is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). P-dihydrocoumaroyl-coa can be found in a number of food items such as chinese mustard, half-highbush blueberry, muskmelon, and black radish, which makes P-dihydrocoumaroyl-coa a potential biomarker for the consumption of these food products.

CAS号

异构

[H][C@](O)(C([O-])=NCCC([O-])=NCCSC(=O)CCC1=CC=C([O-])C=C1)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/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-4,6-7,15-16,19,23-25,29,38,41-42H,5,8-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/p-4/t19-,23-,24-,25+,29-/m1/s1

键

KGYNXBHEANIYOS-FUEUKBNZSA-J

平均分子量

911.138533964

id

31244

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