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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > 3b,4b,7a,12a-tetrahydroxy-5b-cholanoic acid

Preferred term

3b,4b,7a,12a-tetrahydroxy-5b-cholanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O6

inchi

  • InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22-,23-,24-/m1/s1

inchikey

  • WGGZRKVUOFMQHM-VCELIZGUSA-N

mass

  • 424.578

monoisotopicmass

  • 424.28249

smiles

  • O[C@@H]1[C@]2([C@H]([C@H]3[C@@H]([C@@]4([C@H](C[C@H]3O)[C@@H](O)[C@@H](O)CC4)C)C1)CC[C@@H]2[C@@H](CCC(O)=O)C)C

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(3S,4R,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,4,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230856

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