17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)

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CHEBI:36726 - 17,20-dihydroxypregn-4-en-3-one

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ChEBI ID	CHEBI:36726
ChEBI Name	17,20-dihydroxypregn-4-en-3-one
Stars
Definition	A C₂₁-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and by hydroxy groups at the 17α and 20 positions.
Last Modified	12 January 2022
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C21H32O3
Net Charge	0
Average Mass	332.484
Monoisotopic Mass	332.23514
SMILES	[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(C)O
InChI	InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3/t13?,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey	MASCESDECGBIBB-JAKCRWNRSA-N

ChEBI Ontology

Outgoing Relation(s)
	17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) has parent hydride pregnane (CHEBI:8386)
	17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a 17α-hydroxy steroid (CHEBI:35342)
	17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a 20-hydroxy steroid (CHEBI:36854)
	17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a 3-oxo-Δ⁴ steroid (CHEBI:47909)
	17,20-dihydroxypregn-4-en-3-one (CHEBI:36726) is a C₂₁-steroid (CHEBI:61313)
Incoming Relation(s)
	(20R)-17,20-dihydroxypregn-4-en-3-one (CHEBI:36723) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)
	(20S)-17,20-dihydroxypregn-4-en-3-one (CHEBI:16418) is a 17,20-dihydroxypregn-4-en-3-one (CHEBI:36726)

IUPAC Name
17,20-dihydroxypregn-4-en-3-one

UniProt Name	Source
17α,20-dihydroxypregn-4-en-3-one	UniProt

Registry Numbers	Sources
Reaxys:5083960	Reaxys