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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 7alpha,12alpha,26-trihydroxycholest-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 7alpha,12alpha,26-trihydroxycholest-4-en-3-one

Preferred term

7alpha,12alpha,26-trihydroxycholest-4-en-3-one  

Type

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

alt_id

  • CHEBI:141628

charge

  • 0

formula

  • C27H44O4

inchi

  • InChI=1S/C27H44O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h12,16-17,20-25,28,30-31H,5-11,13-15H2,1-4H3/t16?,17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • WOODKECARRKLJJ-DIJRFRLPSA-N

mass

  • 432.63586

monoisotopicmass

  • 432.32396

smiles

  • [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCC(C)CO

subset

  • 3_STAR

synonym EXACT

  • 7alpha,12alpha,26-trihydroxycholest-4-en-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:48833

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