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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > cholanic acid conjugate anion > taurolithocholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > cholanic acid conjugate anion > taurolithocholate
... > 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 > taurolithocholate

Preferred term

taurolithocholate  

Type

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

Broader concept

alt_id

  • CHEBI:15199
  • CHEBI:26857

charge

  • -1

formula

  • C26H44NO5S

has_role

inchi

  • InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/p-1/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

inchikey

  • QBYUNVOYXHFVKC-GBURMNQMSA-M

is_conjugate_base_of

mass

  • 482.69730

monoisotopicmass

  • 482.29457

smiles

  • [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS([O-])(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](O)C2

subset

  • 3_STAR

synonym EXACT

  • 2-[(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
  • taurolithocholate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:17179

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