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CHEBI:18533 - 5α-campestan-3-one

ChEBI IDCHEBI:18533
ChEBI Name5α-campestan-3-one
Stars
ASCII Name5alpha-campestan-3-one
DefinitionA brassinosteroid that is 5α-campestane bearing an oxo substituent at position 3.
Last Modified14 August 2017
DownloadsMolfile
FormulaC28H48O
Net Charge0
Average Mass400.691
Monoisotopic Mass400.37052
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-21,23-26H,7-17H2,1-6H3/t19-,20-,21+,23+,24-,25+,26+,27+,28-/m1/s1
InChIKeyDDJMOMHMVFXEQF-JBQSTXLYSA-N
Species of MetaboliteComponentSourceComments
Pisum sativum (ncbitaxon:3888) - PubMed (15286289)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
5α-campestan-3-one (CHEBI:18533) has parent hydride 5α-campestane (CHEBI:20640)
5α-campestan-3-one (CHEBI:18533) has role plant metabolite (CHEBI:76924)
5α-campestan-3-one (CHEBI:18533) is a 3-oxo-5α-steroid (CHEBI:13601)
5α-campestan-3-one (CHEBI:18533) is a brassinosteroid (CHEBI:22921)
5α-campestan-3-one (CHEBI:18533) is a C28-steroid (CHEBI:188921)
IUPAC Name 
5α-campestan-3-one
Synonyms  Source
Campestan-3-oneLIPID MAPS
(24R)-5α-ergostan-3-oneIUPAC
(24R)-24-methyl-5α-cholestan-3-oneChEBI
5alpha-Campestan-3-oneKEGG COMPOUND
(24R)-5alpha-Ergostan-3-oneKEGG COMPOUND
MethylcholestanoneHMDB
UniProt Name  Source
5α-campestan-3-oneUniProt
Manual XrefsDatabases
LMST01030123LIPID MAPS
C15786KEGG COMPOUND
HMDB0012116HMDB
CPD-709MetaCyc
Registry NumbersSources
Reaxys:10732169Reaxys
Citations