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CHEBI:34073 - Δ1-progesterone

ChEBI IDCHEBI:34073
ChEBI NameΔ1-progesterone
Stars
ASCII NameDelta(1)-progesterone
DefinitionA 3-oxo Δ4-steroid that is progesterone which has been oxidised to introduce a double bond between positions 1 and 2.
Last Modified17 July 2014
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H28O2/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/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKeyQIEPWCSVQYUPIY-LEKSSAKUSA-N
ChEBI Ontology
Outgoing Relation(s)
Δ1-progesterone (CHEBI:34073) has functional parent progesterone (CHEBI:17026)
Δ1-progesterone (CHEBI:34073) has parent hydride steroid fundamental parent (CHEBI:35508)
Δ1-progesterone (CHEBI:34073) is a 20-oxo steroid (CHEBI:36885)
Δ1-progesterone (CHEBI:34073) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
Incoming Relation(s)
fluorometholone (CHEBI:31625) has functional parent Δ1-progesterone (CHEBI:34073)
fluorometholone acetate (CHEBI:78354) has functional parent Δ1-progesterone (CHEBI:34073)
mometasone (CHEBI:6970) has functional parent Δ1-progesterone (CHEBI:34073)
prednisolone (CHEBI:8378) has functional parent Δ1-progesterone (CHEBI:34073)
IUPAC Name 
pregna-1,4-diene-3,20-dione
Synonyms  Source
1,2-dehydroprogesteroneChemIDplus
1,2-didehydroprogesteroneChEBI
1-DehydroprogesteroneKEGG COMPOUND
3,20-dioxo-1,4-pregnadieneChEBI
3,20-dioxo-pregna-1,4-dieneChEBI
delta1-ProgesteroneKEGG COMPOUND
Manual XrefsDatabases
C14677KEGG COMPOUND
Registry NumbersSources
Reaxys:1999508Reaxys
CAS:1162-54-5KEGG COMPOUND
CAS:1162-54-5ChemIDplus