CHEBI:15690 - 20-hydroxy-3-oxopregn-4-en-21-al

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 20-hydroxy-3-oxopregn-4-en-21-al
ChEBI ID CHEBI:15690
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1290, CHEBI:11659, CHEBI:19797
Supplier Information
Download Molfile XML SDF
Formula C21H30O3
Net Charge 0
Average Mass 330.46110
Monoisotopic Mass 330.21949
InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3/t15-,16-,17-,18+,19?,20-,21-/m0/s1
InChIKey HIXLXYQKUSOMDM-FYGMKCHKSA-N
SMILES [H]C(=O)C(O)[C@H]1CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing 20-hydroxy-3-oxopregn-4-en-21-al (CHEBI:15690) has parent hydride pregnane (CHEBI:8386)
20-hydroxy-3-oxopregn-4-en-21-al (CHEBI:15690) is a 20-hydroxy steroid (CHEBI:36854)
20-hydroxy-3-oxopregn-4-en-21-al (CHEBI:15690) is a 21-oxo steroid (CHEBI:36886)
20-hydroxy-3-oxopregn-4-en-21-al (CHEBI:15690) is a 3-oxo-Δ4 steroid (CHEBI:47909)
20-hydroxy-3-oxopregn-4-en-21-al (CHEBI:15690) is a C21-steroid (CHEBI:61313)
20-hydroxy-3-oxopregn-4-en-21-al (CHEBI:15690) is a steroid aldehyde (CHEBI:131565)
IUPAC Name
20-hydroxy-3-oxopregn-4-en-21-al
Synonyms Sources
20-Hydroxy-3-oxopregn-4-en-21-al KEGG COMPOUND
20-hydroxy-3-oxopregn-4-en-21-al UniProt
Manual Xref Database
C04108 KEGG COMPOUND
View more database links
Last Modified
13 November 2017