Name: Taurochenodeoxycholic Acid
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212037666
Cas No:516-35-8
常用名:Taurochenodeoxycholic Acid
别名:牛磺鹅去氧胆酸, TCDCA, Taurochenodeoxycholate, Chenyltaurine, Chenodeoxycholyltaurine, 12-Deoxycholyltaurine
别名:牛磺鹅去氧胆酸, TCDCA, Taurochenodeoxycholate, Chenyltaurine, Chenodeoxycholyltaurine, 12-Deoxycholyltaurine
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonic acid
IUPAC:2-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonic acid
InChI key:BHTRKEVKTKCXOH-BJLOMENOSA-N

分子式:C26H45NO6S
分子量:499.71
氢键供体数 (HBD):4
氢键受体数 (HBA):6
LogP:1.096802
SMILES:[H][C@@]1(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@H](C)CCC(=O)NCCS(O)(=O)=O
SMILES:[H][C@@]1(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@H](C)CCC(=O)NCCS(O)(=O)=O

Taurochenodeoxycholic Acid (12-Deoxycholyltaurine) 是动物胆汁酸的主要生物活性物质之一，可诱导细胞凋亡，具有明显的抗炎和免疫调节作用。

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