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Concept information

Preferred term

7alpha-hydroxycholest-4-en-3-one  

Type

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

alt_id

  • CHEBI:12262
  • CHEBI:20800
  • CHEBI:2292
  • CHEBI:58317

charge

  • 0

formula

  • C27H44O2

inchi

  • InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3/t18-,21-,22+,23+,24-,25+,26+,27-/m1/s1

inchikey

  • IOIZWEJGGCZDOL-RQDYSCIWSA-N

mass

  • 400.63706

monoisotopicmass

  • 400.33413

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 7alpha-Hydroxycholest-4-en-3-one
  • 7alpha-hydroxycholest-4-en-3-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:17899

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