CHEBI:79892 - 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one
ChEBI ID CHEBI:79892
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H34O3
Net Charge 0
Average Mass 334.49290
Monoisotopic Mass 334.25079
InChI InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18+,19+,20+,21-/m1/s1
InChIKey QIVOTMOKECOCJC-OCBUSJJZSA-N
SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one (CHEBI:79892) is a corticosteroid hormone (CHEBI:36699)
Manual Xref Database
C15391 KEGG COMPOUND
View more database links