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CHEBI:188988 - 28-norteasterone

ChEBI IDCHEBI:188988
ChEBI Name28-norteasterone
Stars
DefinitionA brassinosteroid that is 6-deoxo-28-norteasterone carrying an oxo group at position 6.
Last Modified14 April 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H46O4
Net Charge0
Average Mass434.661
Monoisotopic Mass434.33961
SMILES[H][C@@]12CC(=O)[C@@]3([H])C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)[C@@H](O)[C@H](O)CC(C)C
InChIInChI=1S/C27H46O4/c1-15(2)12-24(30)25(31)16(3)19-6-7-20-18-14-23(29)22-13-17(28)8-10-27(22,5)21(18)9-11-26(19,20)4/h15-22,24-25,28,30-31H,6-14H2,1-5H3/t16-,17-,18-,19+,20-,21-,22+,24+,25+,26+,27+/m0/s1
InChIKeyLEHNWZXASREXJG-ODJNXLQUSA-N
Species of MetaboliteComponentSourceComments
Vitis vinifera (ncbitaxon:29760) - PubMed (35163750)
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)
28-norteasterone (CHEBI:188988) has role plant metabolite (CHEBI:76924)
28-norteasterone (CHEBI:188988) is a 22-hydroxy steroid (CHEBI:36863)
28-norteasterone (CHEBI:188988) is a 23-hydroxy steroid (CHEBI:36866)
28-norteasterone (CHEBI:188988) is a 3β-hydroxy steroid (CHEBI:36836)
28-norteasterone (CHEBI:188988) is a 6-oxo steroid (CHEBI:36883)
28-norteasterone (CHEBI:188988) is a a C27-steroid (CHEBI:188919)
28-norteasterone (CHEBI:188988) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22R,23R)-3β,22,23-trihydroxy-5α-cholestan-6-one
Synonyms  Source
28-norTEMetaCyc
(3β,5α,22R,23R)-3,22,23-trihydroxy-cholestan-6-oneChEBI
UniProt Name  Source
28-norteasteroneUniProt
Manual XrefsDatabases
CPD-25283MetaCyc
62861337ChemSpider
Registry NumbersSources
CAS:105319-58-2ChEBI
Citations