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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 > 3beta,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3beta,12alpha-dihydroxy-7-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 > 3beta,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3beta,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 3beta,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid

Preferred term

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

inchikey

  • RHCPKKNRWFXMAT-FLYGLDLKSA-N

mass

  • 406.563

monoisotopicmass

  • 406.27192

smiles

  • O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3=O)(C[C@@H](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-[(3S,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187627

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