CHEBI:81469 - 5alpha-Pregnan-20alpha-ol-3-one

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ChEBI Name 5alpha-Pregnan-20alpha-ol-3-one
ChEBI ID CHEBI:81469
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H34O2
Net Charge 0
Average Mass 318.49350
Monoisotopic Mass 318.25588
InChI InChI=1S/C21H34O2/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/h13-14,16-19,22H,4-12H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey DYVGYXXLXQESJE-SKLBOBKVSA-N
SMILES C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Roles Classification
Biological Role(s): 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 5alpha-Pregnan-20alpha-ol-3-one (CHEBI:81469) is a 3-oxo-5α-steroid (CHEBI:13601)
5alpha-Pregnan-20alpha-ol-3-one (CHEBI:81469) is a corticosteroid hormone (CHEBI:36699)
Synonym Source
Allopregnan-20alpha-ol-3-one KEGG COMPOUND
Manual Xrefs Databases
C18041 KEGG COMPOUND
HMDB0060408 HMDB
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Registry Number Type Source
516-59-6 CAS Registry Number KEGG COMPOUND
Last Modified
26 April 2017