Chem
J-GLOBAL ID：200907079005763725   Nikkaji number：J563.909C

Taurohyocholate

タウロヒオコール酸
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： C26H45NO7S
Molecular formula furigana： C26-H45-N-O7-S
Molecular weight： 515.710
InChI： InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-/m1/s1
InChI key： XSOLDPYUICCHJX-QZEPYOAJSA-N
SMILES： C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 2-[(3α,6α,7α-トリヒドロキシ-24-オキソ-5β-コラン-24-イル)アミノ]エタンスルホン酸
  • 2-[(4R)-4-[(1R,3aS,3bS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-トリヒドロキシ-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-スルホン酸
  • 2-[(4R)-4-[(1R,3aS,3bS,4S,5R,5aR,7R,9aR,9bS,11aR)-4,5,7-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonic acid
Other name (6)：
  • タウロヒオコール酸
  • Taurohyocholic acid
  • 2-[(3α,6α,7α-Trihydroxy-24-oxo-5β-cholan-24-yl)amino]ethanesulfonic acid
  • Taurohyocholate
  • N-(3α,6α,7α-Trihydroxy-5β-cholan-24-oyl)taurine
Show all
CAS registry number： 32747-07-2
KEGG COMPOUND： C15516
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