CHEBI:34353 - 3α,17α-dihydroxy-5β-pregnan-20-one

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ChEBI Name 3α,17α-dihydroxy-5β-pregnan-20-one
ChEBI ID CHEBI:34353
ChEBI ASCII Name 3alpha,17alpha-dihydroxy-5beta-pregnan-20-one
Definition A 17α-hydroxy steroid that is 3α-hydroxy-5β-pregnan-20-one carrying an additional hydroxy group at position 17α.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Secondary ChEBI IDs CHEBI:180513
Supplier Information
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Formula C21H34O3
Net Charge 0
Average Mass 334.500
Monoisotopic Mass 334.25079
InChI InChI=1S/C21H34O3/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/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKey LKQDFQLSEHWIRK-UKBVDAKRSA-N
SMILES [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Urine (NCIT:C13283). See: PubMed
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Biological Role(s): human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
hormone
Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
(via steroid hormone )
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ChEBI Ontology
Outgoing 3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) has role human urinary metabolite (CHEBI:84087)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a 17α-hydroxy steroid (CHEBI:35342)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a 20-oxo steroid (CHEBI:36885)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a 3α-hydroxy steroid (CHEBI:36835)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a C21-steroid (CHEBI:61313)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name
3α,17-dihydroxy-5β-pregnan-20-one
Synonyms Sources
(3α,5β)-3,17-dihydroxypregnan-20-one ChEBI
17α-hydroxypregnanolone KEGG COMPOUND
3α,17α-dihydroxy-20-oxo-5β-pregnane ChEBI
5β-pregnan-3α,17α-diol-20-one ChEBI
5β-pregnane-3α,17α-diol-20-one ChEBI
Manual Xref Database
C14609 KEGG COMPOUND
View more database links
Registry Number Type Source
570-52-5 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
28485925 PubMed citation Europe PMC
28847137 PubMed citation Europe PMC
6931002 PubMed citation Europe PMC
932595 PubMed citation Europe PMC
9748397 PubMed citation Europe PMC
Last Modified
09 March 2023