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CHEBI:228296 - 5α-cholesta-24-en-3β,20β-diol-23-one

ChEBI IDCHEBI:228296
ChEBI Name5α-cholesta-24-en-3β,20β-diol-23-one
Stars
ASCII Name5alpha-cholesta-24-en-3beta,20beta-diol-23-one
Last Modified21 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC27H44O3
Net Charge0
Average Mass416.646
Monoisotopic Mass416.32905
SMILESCC(C)=CC(=O)C[C@](C)(O)C1CCC2C3CCC4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H44O3/c1-17(2)14-20(29)16-27(5,30)24-9-8-22-21-7-6-18-15-19(28)10-12-25(18,3)23(21)11-13-26(22,24)4/h14,18-19,21-24,28,30H,6-13,15-16H2,1-5H3/t18?,19-,21?,22?,23?,24?,25-,26-,27-/m0/s1
InChIKeyJLSGWGFUNKKVBT-FMDNSJKISA-N
Species of MetaboliteComponentSourceComments
Acanthaster planci (ncbitaxon:133434) Whole body (BTO:0001489) PubMed (34969331)
Roles Classification
Biological Roles:
EC 3.2.1.20 (alpha-glucosidase) inhibitor  An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-glucosidase (EC 3.2.1.20).
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) has role animal metabolite (CHEBI:75767)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) has role antibacterial agent (CHEBI:33282)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) has role marine metabolite (CHEBI:76507)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) is a 20-hydroxy steroid (CHEBI:36854)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) is a 23-oxo steroid (CHEBI:228297)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) is a 3β-hydroxy steroid (CHEBI:36836)
5α-cholesta-24-en-3β,20β-diol-23-one (CHEBI:228296) is a C27-steroid (CHEBI:131619)
IUPAC Name 
(9ξ,14ξ)-3β,20-dihydroxy-8ξ,17ξ-cholest-24-en-23-one
Citations