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

ChEBI IDCHEBI:15690
ChEBI Name20-hydroxy-3-oxopregn-4-en-21-al
Stars
Secondary ChEBI IDsCHEBI:1290, CHEBI:11659, CHEBI:19797
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
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
InChIInChI=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
InChIKeyHIXLXYQKUSOMDM-FYGMKCHKSA-N
ChEBI Ontology
Outgoing Relation(s)
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
Synonym  Source
20-Hydroxy-3-oxopregn-4-en-21-alKEGG COMPOUND
UniProt Name  Source
20-hydroxy-3-oxopregn-4-en-21-alUniProt
Manual XrefsDatabases
C04108KEGG COMPOUND
C04108KEGG COMPOUND