CHEBI:27486 - 16,17-didehydropregnenolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16,17-didehydropregnenolone
ChEBI ID CHEBI:27486
Definition A 3β-hydroxy-Δ5-steroid that is pregnenolone with a double bond between positions 16 and 17.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:762, CHEBI:19156
Supplier Information
Download Molfile XML SDF
Formula C21H30O2
Net Charge 0
Average Mass 314.46170
Monoisotopic Mass 314.22458
InChI InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1
InChIKey YLFRRPUBVUAHSR-RRPFGEQOSA-N
SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])C(C)=O
ChEBI Ontology
Outgoing 16,17-didehydropregnenolone (CHEBI:27486) has functional parent pregnenolone (CHEBI:16581)
16,17-didehydropregnenolone (CHEBI:27486) is a 20-oxo steroid (CHEBI:36885)
16,17-didehydropregnenolone (CHEBI:27486) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
16,17-didehydropregnenolone (CHEBI:27486) is a enone (CHEBI:51689)
Incoming 16,17-didehydropregnenolone 3-β-D-glucoside (CHEBI:145050) has functional parent 16,17-didehydropregnenolone (CHEBI:27486)
IUPAC Name
3β-hydroxypregna-5,16-dien-20-one
Synonyms Sources
(3β)-3-hydroxypregna-5,16-dien-20-one NIST Chemistry WebBook
16,17-Didehydropregnenolone KEGG COMPOUND
16,17-didehydropregnenolone UniProt
16-dehydropregnenolone ChemIDplus
5,16-pregnadien-3β-ol-20-one NIST Chemistry WebBook
Δ16-pregnenolone NIST Chemistry WebBook
Manual Xref Database
C06392 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1009330 Beilstein Registry Number Beilstein
1009330 Reaxys Registry Number Reaxys
1162-53-4 CAS Registry Number ChemIDplus
1162-53-4 CAS Registry Number NIST Chemistry WebBook
Last Modified
17 January 2023