public_id

FDB030102

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-{[(2Z,6R)-6-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-2-methylhept-2-enoyl]sulfanyl}ethyl)carboximidato]ethyl}-2-hydroxy-3,3-dimethylbutanecarboximidate

描述

(24e)-3α,7α-dihydroxy-5β-cholest-24-enoyl-coa is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). (24e)-3α,7α-dihydroxy-5β-cholest-24-enoyl-coa can be found in a number of food items such as sunflower, eggplant, pepper (c. chinense), and kumquat, which makes (24e)-3α,7α-dihydroxy-5β-cholest-24-enoyl-coa a potential biomarker for the consumption of these food products.

CAS号

异构

[H]\C(CC[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=C(/C)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/C48H78N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66,67)70-22-34-39(73-75(63,64)65)38(59)44(72-34)55-25-54-37-41(49)52-24-53-42(37)55/h9,24-26,28-34,36,38-40,44,56-57,59-60H,7-8,10-23H2,1-6H3,(H,50,58)(H,51,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-4/b27-9-/t26-,28+,29-,30-,31+,32+,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1

键

SEBZZAWTQNNGPK-DEYSOCMHSA-J

平均分子量

1177.399499678

id

30265

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