skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > aliphatic nitrile > pregnenolone 16alpha-carbonitrile

Preferred term

pregnenolone 16alpha-carbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C22H31NO2

has_functional_parent

inchi

  • InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1

inchikey

  • VSBHRRMYCDQLJF-ZDNYCOCVSA-N

mass

  • 341.48708

monoisotopicmass

  • 341.23548

smiles

  • [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H]([C@@H](C[C@@]21[H])C#N)C(C)=O

subset

  • 3_STAR

synonym EXACT

  • 3beta-hydroxy-20-oxopregn-5-ene-16alpha-carbonitrile
  • pregnenolone 16alpha-carbonitrile

synonym RELATED

  • 3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile
  • 3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile
  • PCN
  • Pregnenolone-16alpha-carbonitrile
  • pregnenolone carbonitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:35591

Download this concept:

RDF/XML TURTLE JSON-LD