CHEBI:8387 - Pregnanediol

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ChEBI Name Pregnanediol
ChEBI ID CHEBI:8387
Stars This entity has been manually annotated by a third party.
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Formulae C21H36O2
C21H36O2
Net Charge 0
Average Mass 320.510
Monoisotopic Mass 320.27153
InChI InChI=1S/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20-,21+/m0/s1
InChIKey YWYQTGBBEZQBGO-BERLURQNSA-N
SMILES C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
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 Pregnanediol (CHEBI:8387) is a corticosteroid hormone (CHEBI:36699)
Synonyms Sources
(1S,2S,10S,11S,14S,15R)-14-ethyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,5-diol HMDB
(3a,5b,20S)-Pregnane-3,20-diol HMDB
3a,20a-Dihydroxy-5b-pregnane HMDB
5b-Pregnane-3a,20a-diol HMDB
5beta-Pregnane-3alpha,20 alpha-diol HMDB
5beta-Pregnane-3alpha,20alpha-diol KEGG COMPOUND
Diol KEGG COMPOUND
Pregnandiol KEGG COMPOUND
Pregnanediol KEGG COMPOUND
Manual Xrefs Databases
C05484 KEGG COMPOUND
D00189 KEGG DRUG
Diol Wikipedia
HMDB0004025 HMDB
PREGNANEDIOL MetaCyc
View more database links
Registry Number Type Source
80-92-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
1032593 PubMed citation Europe PMC
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Last Modified
23 October 2015