CHEBI:20674 - 5β-pregnane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-pregnane
ChEBI ID CHEBI:20674
ChEBI ASCII Name 5beta-pregnane
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H36
Net Charge 0
Average Mass 288.51054
Monoisotopic Mass 288.28170
InChI InChI=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
InChIKey JWMFYGXQPXQEEM-NUNROCCHSA-N
SMILES [H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C
ChEBI Ontology
Outgoing 5β-pregnane (CHEBI:20674) is a C21-steroid (CHEBI:61313)
5β-pregnane (CHEBI:20674) is a pregnane (CHEBI:8386)
Incoming 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)
3-hydroxy-5β-pregnan-20-one (CHEBI:50171) 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 Xref Database
C01523 KEGG COMPOUND
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Registry Numbers Types Sources
2502008 Beilstein Registry Number Beilstein
481-26-5 CAS Registry Number ChemIDplus
Last Modified
16 September 2021