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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfonate oxoanion > taurochenodeoxycholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfonate oxoanion > taurochenodeoxycholate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organosulfonate oxoanion > taurochenodeoxycholate
... > chemical entity > molecular entity > ion > anion > organic anion > cholanic acid conjugate anion > taurochenodeoxycholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > cholanic acid conjugate anion > taurochenodeoxycholate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > cholanic acid conjugate anion > taurochenodeoxycholate

Preferred term

taurochenodeoxycholate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:57802

charge

  • -1

formula

  • C26H44NO6S

has_role

inchi

  • 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-BJLOMENOSA-M

is_conjugate_base_of

mass

  • 498.69670

monoisotopicmass

  • 498.28948

smiles

  • [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCCS([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
  • taurochenodeoxycholate
  • Taurochenodeoxycholate

synonym RELATED

  • taurochenodeoxycholate(1-)
  • taurochenodeoxycholate anion

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9407

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