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Concept information

Preferred term

ursodeoxycholate  

Type

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

charge

  • -1

formula

  • C24H39O4

inchi

  • InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1

inchikey

  • RUDATBOHQWOJDD-UZVSRGJWSA-M

mass

  • 391.56460

monoisotopicmass

  • 391.28538

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oate
  • ursodeoxycholate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78604

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