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

Preferred term

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

inchikey

  • RTDKESWUGVPWNC-NWZYANAMSA-N

mass

  • 406.563

monoisotopicmass

  • 406.27192

smiles

  • O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@]([C@H]1O)(CC(=O)CC4)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(5R,6R,7S,8S,9S,10R,13R,14S,17R)-6,7-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:184206

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