CHEBI:27783 - 11β,17α,21-trihydroxypregnenolone

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ChEBI Name 11β,17α,21-trihydroxypregnenolone
ChEBI ID CHEBI:27783
ChEBI ASCII Name 11beta,17alpha,21-trihydroxypregnenolone
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:19130, CHEBI:733
Supplier Information
Download Molfile XML SDF
Formula C21H32O5
Net Charge 0
Average Mass 364.47578
Monoisotopic Mass 364.22497
InChI InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h3,13-16,18,22-24,26H,4-11H2,1-2H3/t13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey HAFVWTUQBYRPOB-HCMGWXKDSA-N
SMILES [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 11β,17α,21-trihydroxypregnenolone (CHEBI:27783) has functional parent pregnenolone (CHEBI:16581)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) has role mouse metabolite (CHEBI:75771)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) is a 11β-hydroxy steroid (CHEBI:35346)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) is a 17α-hydroxy steroid (CHEBI:35342)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) is a 21-hydroxy steroid (CHEBI:35344)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) is a primary α-hydroxy ketone (CHEBI:139590)
11β,17α,21-trihydroxypregnenolone (CHEBI:27783) is a tertiary α-hydroxy ketone (CHEBI:139592)
IUPAC Name
3β,11β,17,21-tetrahydroxypregn-5-en-20-one
Synonym Source
11beta,17alpha,21-Trihydroxypregnenolone KEGG COMPOUND
Manual Xref Database
C05489 KEGG COMPOUND
View more database links
Registry Number Type Source
2629658 Beilstein Registry Number Beilstein
Last Modified
06 February 2018