CHEBI:79904 - 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one

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ChEBI Name 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one
ChEBI ID CHEBI:79904
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H34O4
Net Charge 0
Average Mass 350.49230
Monoisotopic Mass 350.24571
InChI InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1
InChIKey VHYUGQIWISVBRT-SUTVCERISA-N
SMILES CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[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 3alpha,11beta,17alpha-Trihydroxy-5beta-pregnan-20-one (CHEBI:79904) is a corticosteroid hormone (CHEBI:36699)
Synonym Source
Tetrahydro-21-deoxycortisol KEGG COMPOUND
Manual Xref Database
C15403 KEGG COMPOUND
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