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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid > hyodeoxycholic acid 6-o-(beta-d-glucuronide)
organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid > hyodeoxycholic acid 6-o-(beta-d-glucuronide)

Preferred term

hyodeoxycholic acid 6-o-(beta-d-glucuronide)  

Type

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

alt_id

  • CHEBI:2241

charge

  • 0

formula

  • C30H48O10

has_functional_parent

inchi

  • InChI=1S/C30H48O10/c1-14(4-7-22(32)33)17-5-6-18-16-13-21(39-28-25(36)23(34)24(35)26(40-28)27(37)38)20-12-15(31)8-10-30(20,3)19(16)9-11-29(17,18)2/h14-21,23-26,28,31,34-36H,4-13H2,1-3H3,(H,32,33)(H,37,38)/t14-,15-,16+,17-,18+,19+,20+,21+,23+,24+,25-,26+,28-,29-,30-/m1/s1

inchikey

  • MAXKTGFGXCXJFY-HHUAQUJWSA-N

mass

  • 568.697

monoisotopicmass

  • 568.32475

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(C[C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])(CC[C@@]4([C@@H](CCC(=O)O)C)[H])[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • 6alpha-(beta-D-glucopyranuronosyloxy)-3alpha-hydroxy-5beta-cholan-24-oic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137822

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