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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 > cholestanoid > 3alpha,7alpha-dihydroxy-5beta-cholest-23-en-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3alpha,7alpha-dihydroxy-5beta-cholest-23-en-26-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 > cholestanoid > 3alpha,7alpha-dihydroxy-5beta-cholest-23-en-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > cholestanoid > 3alpha,7alpha-dihydroxy-5beta-cholest-23-en-26-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > cholestanoid > 3alpha,7alpha-dihydroxy-5beta-cholest-23-en-26-oic acid

Preferred term

3alpha,7alpha-dihydroxy-5beta-cholest-23-en-26-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O4

inchi

  • InChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h5,7,16-24,28-29H,6,8-15H2,1-4H3,(H,30,31)/b7-5+/t16-,17?,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

inchikey

  • HTHIXBFFDWLAFX-FGQCIORFSA-N

mass

  • 432.645

monoisotopicmass

  • 432.32396

smiles

  • O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](C/C=C/C(C)C(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-3-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190351

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