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Concept information

Preferred term

تاورولیتوکولیک اسید  

Type

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

alt_id

  • CHEBI:26859
  • CHEBI:9411

charge

  • 0

formula

  • C26H45NO5S

has_functional_parent

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)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

inchikey

  • QBYUNVOYXHFVKC-GBURMNQMSA-N

is_conjugate_acid_of

mass

  • 483.70400

monoisotopicmass

  • 483.30184

smiles

  • C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

subset

  • 3_STAR

synonym EXACT

  • 2-[(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
  • Taurolithocholic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:36259

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