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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholanoid > 6beta,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 6beta,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 6beta,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 6beta,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 6beta,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid

Preferred term

6beta,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H38O5

inchi

  • InChI=1S/C24H38O5/c1-13(4-7-22(28)29)16-5-6-17-15-11-20(26)19-10-14(25)8-9-23(19,2)18(15)12-21(27)24(16,17)3/h13,15-21,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,15+,16-,17+,18+,19+,20-,21+,23-,24-/m1/s1

inchikey

  • WWDPYQCHZOEWDH-NTDCZRNWSA-N

mass

  • 406.563

monoisotopicmass

  • 406.27192

smiles

  • O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@]([C@H](O)C3)(CC(=O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184857

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