CHEBI:34461 - 5-alpha-THDOC

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-alpha-THDOC
ChEBI ID CHEBI:34461
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C21H34O3
C21H34O3
Net Charge 0
Average Mass 334.494
Monoisotopic Mass 334.25079
InChI InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey CYKYBWRSLLXBOW-GDYGHMJCSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing 5-alpha-THDOC (CHEBI:34461) is a 21-hydroxy steroid (CHEBI:35344)
Synonyms Sources
2-hydroxy-1-[(1S,2S,5R,7S,10R,11S,14S,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]ethan-1-one HMDB
3alpha,21-Dihydroxy-5alpha-pregnan-20-one KEGG COMPOUND
3alpha,21-Dihydroxy-5beta-pregnan-20-one HMDB
5-alpha-THDOC HMDB
5-alpha-THDOC KEGG COMPOUND
5alpha-THDOC KEGG COMPOUND
Allotetrahydrodeoxycorticosterone KEGG COMPOUND
Deoxycorticosterone-21-aminopropane HMDB
Tetrahydro-11-deoxycorticosterone HMDB
Manual Xrefs Databases
C13713 KEGG COMPOUND
HMDB0000879 HMDB
View more database links
Registry Numbers Types Sources
567-02-2 CAS Registry Number KEGG COMPOUND
567-03-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11804209 PubMed citation Europe PMC
12271438 PubMed citation Europe PMC
12628349 PubMed citation Europe PMC
1316648 PubMed citation Europe PMC
16959481 PubMed citation Europe PMC
2156398 PubMed citation Europe PMC
4644861 PubMed citation Europe PMC
5108103 PubMed citation Europe PMC
6249834 PubMed citation Europe PMC
8817726 PubMed citation Europe PMC
Last Modified
23 October 2015