Source:http://linkedlifedata.com/resource/chebi/id/CHEBI:35591
| Predicate | Object |
|---|---|
| rdf:type | |
| skos:definition |
"A nitrile that has formula C22H31NO2." []
|
| skos:inScheme | |
| skos:prefLabel |
pregnenolone 16alpha-carbonitrile
|
| skos:altLabel |
3beta-hydroxy-20-oxopregn-5-ene-16alpha-carbonitrile,
pregnenolone 16alpha-carbonitrile
|
| skos:notation |
Beilstein:2706221 "Beilstein Registry Number",
ChemIDplus:1434-54-4 "CAS Registry Number"
|
| skos:broader | |
| skos:relatedSynonym |
PCN,
3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile,
pregnenolone carbonitrile,
C22H31NO2,
[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,
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
|