Taurallocholic acid,化合物成分

Taurallocholic acid

public_id

FDB022320

IUPAC 名称

2-[(4R)-4-[(2S,5R,7R,9R,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid

描述

An ethanesulfonic acid derivative of Cholane. Tauroallocholic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. [HMDB]

CAS号

59005-70-8

异构

[H][C@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@H](CCC3C1[C@H](O)C2)[C@H](C)CCC(=O)NCCS(O)(=O)=O

InChI标识符

InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16-,17-,18-,19?,20?,21-,22+,24?,25+,26-/m1/s1

键

WBWWGRHZICKQGZ-ZKUTWGMOSA-N

平均分子量

515.291673489

id

22483

含有化合物的食物

食物id	食物名称
430	Ostrich
353	Mule deer
595	Mountain hare
358	Mallard duck
383	Horse
378	Guinea hen
373	Greylag goose
451	European rabbit
365	Emu
364	Elk
549	Domestic pig
541	Domestic goat
535	Deer
624	Columbidae (Dove, Pigeon)
334	Chicken
506	Cattle (Beef, Veal)
316	Buffalo
303	Bison
542	Beefalo
590	Anatidae