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Chemistry, part 2

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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 > 2beta,3beta-dihydroxy-6-oxo-5alpha-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 2beta,3beta-dihydroxy-6-oxo-5alpha-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 > 2beta,3beta-dihydroxy-6-oxo-5alpha-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 2beta,3beta-dihydroxy-6-oxo-5alpha-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 2beta,3beta-dihydroxy-6-oxo-5alpha-cholan-24-oic acid

Preferred term

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

inchikey

  • JHRTZPAZZAJUCF-UKQTYHSRSA-N

mass

  • 406.563

monoisotopicmass

  • 406.27192

smiles

  • O=C1[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(O)=O)C)[H])(CC3)C)[H])(C1)[H])[H])(C[C@H](O)[C@H](O)C2)C)[H]

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188424

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