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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 > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > bile acids > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy-5beta-cholanic acid > bile acid > (24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid

Preferred term

(24r,25r)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H46O6

inchi

  • InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15-,16+,17-,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1

inchikey

  • FAYYTQMQTAKHRM-ARIMCAHSSA-N

mass

  • 466.659

monoisotopicmass

  • 466.32944

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](CC[C@@H](O)[C@@H](C)C(O)=O)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,6R)-3-hydroxy-2-methyl-6-[(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]heptanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181665

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