tauroursodeoxycholate

Chemical Formula:

C₂₆H₄₄NO₆S

Molecular Weight:

498.697 Daltons

Monoisotopic Mass:

498.697 Daltons

InChI:

1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/p-1/t16-,17+,18-,19-,20+,21+,22+,24+,25+,26-/m1/s1

InChIKey:

BHTRKEVKTKCXOH-LBSADWJPSA-M

Synonyms

N-(3α,7β-dihydroxy-5β-cholan-24-oyl)taurine

Databases

Seed: cpd17168

HMDB: HMDB00874

MetaNetX: MNXM162420

KEGG: C16868

RefMet: Tauroursodeoxycholic acid

ChEBI: 132028

PubChem (CID): 51397976 9848818

MetaCyc: CPD-18799