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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 > 3alpha,12alpha-dihydroxy-6-oxo-5beta-chol-7-en-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3alpha,12alpha-dihydroxy-6-oxo-5beta-chol-7-en-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 > 3alpha,12alpha-dihydroxy-6-oxo-5beta-chol-7-en-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholanoid > 3alpha,12alpha-dihydroxy-6-oxo-5beta-chol-7-en-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholanoid > 3alpha,12alpha-dihydroxy-6-oxo-5beta-chol-7-en-24-oic acid

Preferred term

3alpha,12alpha-dihydroxy-6-oxo-5beta-chol-7-en-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H36O5

inchi

  • InChI=1S/C24H36O5/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/h11,13-14,16-19,21,25,27H,4-10,12H2,1-3H3,(H,28,29)/t13-,14-,16-,17+,18+,19+,21+,23-,24-/m1/s1

inchikey

  • GDUPOKRLCLDOHZ-XWMSBXEFSA-N

mass

  • 404.547

monoisotopicmass

  • 404.25627

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193288

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