CHEBI:20674 - 5β-pregnane

ChEBI IDCHEBI:20674
ChEBI Name5β-pregnane
Stars
ASCII Name5beta-pregnane
Last Modified16 September 2021
DownloadsMolfile
FormulaC21H36
Net Charge0
Average Mass288.519
Monoisotopic Mass288.28170
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@@]([H])(CC)CC[C@@]3([H])[C@]1([H])CC2
InChIInChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16-,17-,18-,19-,20-,21+/m0/s1
InChIKeyJWMFYGXQPXQEEM-NUNROCCHSA-N
ChEBI Ontology
Outgoing Relation(s)
5β-pregnane (CHEBI:20674) is a C21-steroid (CHEBI:61313)
5β-pregnane (CHEBI:20674) is a pregnane (CHEBI:8386)
Incoming Relation(s)
3-hydroxy-5β-pregnan-20-one (CHEBI:50171) has parent hydride 5β-pregnane (CHEBI:20674)
3α,12α-dihydroxy-5β-pregnan-20-one diacetate (CHEBI:79774) has parent hydride 5β-pregnane (CHEBI:20674)
3α,21-dihydroxy-D-homo-5β-pregn-17a(20)-en-11-one (CHEBI:79500) has parent hydride 5β-pregnane (CHEBI:20674)
5β-dihydrodeoxycorticosterone (CHEBI:86384) has parent hydride 5β-pregnane (CHEBI:20674)
5β-pregnan-20α-ol-3-one (CHEBI:78666) has parent hydride 5β-pregnane (CHEBI:20674)
5β-pregnane-3,20-dione (CHEBI:30154) has parent hydride 5β-pregnane (CHEBI:20674)
tetrahydrocortisol (CHEBI:28320) has parent hydride 5β-pregnane (CHEBI:20674)
IUPAC Name 
5β-pregnane
Manual XrefsDatabases
C01523KEGG COMPOUND
Registry NumbersSources
Beilstein:2502008Beilstein
CAS:481-26-5KEGG COMPOUND
CAS:481-26-5ChemIDplus