7-Sulfocholic acid,化合物成分

7-Sulfocholic acid

public_id

FDB022999

IUPAC 名称

(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyl-9-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanoic acid

描述

7-Sulfocholic acid is a naturally occurring bile acid sulfate conjugate that has been identified in human bile (PMID: 7320139) and human urine. (PMID: 3584362) In mice significantly less cholic acid 7-sulfate (5-7%) is present in bladder bile and small intestine than in the cecum, colon, or feces (>80%). (PMID: 954753) [HMDB]

CAS号

60320-05-0

异构

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)OS(O)(=O)=O)[C@H](C)CCC(O)=O

InChI标识符

InChI=1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1

键

RRVLNNMINXAIKC-OELDTZBJSA-N

平均分子量

488.244388946

id

23162

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