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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (23s)-3alpha,7alpha,12alpha,23-tetrahydroxy-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (23s)-3alpha,7alpha,12alpha,23-tetrahydroxy-5beta-cholan-24-oic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (23s)-3alpha,7alpha,12alpha,23-tetrahydroxy-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > (23s)-3alpha,7alpha,12alpha,23-tetrahydroxy-5beta-cholan-24-oic acid

Preferred term

(23s)-3alpha,7alpha,12alpha,23-tetrahydroxy-5beta-cholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O6

inchi

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

inchikey

  • UJYLRDMHTJWIQW-NITPNRFESA-N

mass

  • 424.578

monoisotopicmass

  • 424.28249

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (2S,4R)-2-hydroxy-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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:184806

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