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Concept information

Preferred term

cholesta-1,4,22-trien-3-one  

Type

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

charge

  • 0

formula

  • C27H40O

has_role

inchi

  • InChI=1S/C27H40O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,13,15,17-19,22-25H,7,9-12,14,16H2,1-5H3/b8-6+/t19-,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • AJWONNNXQUONDT-UAJHHUEASA-N

mass

  • 380.60590

monoisotopicmass

  • 380.30792

smiles

  • [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)/C=C/CC(C)C

subset

  • 3_STAR

synonym EXACT

  • (22E)-cholesta-1,4,22-trien-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68398

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