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Concept information

Preferred term

avicholate  

Type

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

charge

  • -1

formula

  • C24H39O5

inchi

  • InChI=1S/C24H40O5/c1-13(4-5-20(28)29)22-19(27)12-17-21-16(7-9-24(17,22)3)23(2)8-6-15(25)10-14(23)11-18(21)26/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16+,17+,18-,19-,21-,22+,23+,24+/m1/s1

inchikey

  • PFMAXGIVRQIQPX-JSFQCDATSA-M

is_conjugate_base_of

mass

  • 407.572

monoisotopicmass

  • 407.28030

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-24-oate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178192

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