Chem
J-GLOBAL ID：200907049354220694   Nikkaji number：J292.930I

Sodium taurodeoxycholate

タウロデオキシコール酸ナトリウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C26H44NNaO6S
Molecular formula furigana： C26-H44-N-NA-O6-S
Molecular weight： 521.690
InChI： InChI=1S/C26H45NO6S.Na/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18+,19-,20+,21+,22+,23+,25-,26-;/m1./s1
InChI key： VNQXUJQHLHHTRC-WMWRQJSFSA-M
SMILES： C[C@H](CCC(=O)NCCS(=O)(=O)O[Na])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2-(3α,6α-ジヒドロキシ-24-オキソ-5β-コラン-24-イルアミノ)エタンスルホン酸ナトリウム
  • ナトリウム 2-[(4R)-4-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-ジヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタンアミド]エタン-1-スルホナート
  • sodium 2-[(4R)-4-[(1R,3aS,3bS,5S,5aR,7R,9aR,9bS,11aR)-5,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonate
Other name (3)：
  • Sodium taurodeoxycholate
  • タウロデオキシコール酸ナトリウム
  • 2-(3α,6α-Dihydroxy-24-oxo-5β-cholan-24-ylamino)ethanesulfonic acid sodium salt
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM