CHEBI:133216 - 26-hydroxycastasterone

ChEBI IDCHEBI:133216
ChEBI Name26-hydroxycastasterone
Stars
DefinitionA brassinosteroid that is castasterone carrying an additional hydroxy substituent at position 26.
Last Modified16 February 2017
SubmitterKeeva
DownloadsMolfile
FormulaC28H48O6
Net Charge0
Average Mass480.686
Monoisotopic Mass480.34509
SMILES[H][C@@]12CC(=O)[C@@]3([H])C[C@H](O)[C@H](O)C[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)[C@@H](C)C(C)CO
InChIInChI=1S/C28H48O6/c1-14(13-29)15(2)25(33)26(34)16(3)18-6-7-19-17-10-22(30)21-11-23(31)24(32)12-28(21,5)20(17)8-9-27(18,19)4/h14-21,23-26,29,31-34H,6-13H2,1-5H3/t14?,15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
InChIKeyGIHKVCBPOTYEGP-ZHTUDUEMSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702)
- MetaboLights (MTBLS129)
- PubMed (27432888)
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)
26-hydroxycastasterone (CHEBI:133216) has functional parent castasterone (CHEBI:23051)
26-hydroxycastasterone (CHEBI:133216) has role plant metabolite (CHEBI:76924)
26-hydroxycastasterone (CHEBI:133216) is a 22-hydroxy steroid (CHEBI:36863)
26-hydroxycastasterone (CHEBI:133216) is a 23-hydroxy steroid (CHEBI:36866)
26-hydroxycastasterone (CHEBI:133216) is a 26-hydroxy steroid (CHEBI:36852)
26-hydroxycastasterone (CHEBI:133216) is a 2α-hydroxy steroid (CHEBI:36858)
26-hydroxycastasterone (CHEBI:133216) is a 3α-hydroxy steroid (CHEBI:36835)
26-hydroxycastasterone (CHEBI:133216) is a 6-oxo steroid (CHEBI:36883)
26-hydroxycastasterone (CHEBI:133216) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22R,23R)-2α,3α,22,23,26-pentahydroxy-5α-campestan-6-one
Synonym  Source
(2α,3α,5α,22R,23R,24S)-2,3,22,23,26-pentahydroxyergostan-6-oneIUPAC
Manual XrefsDatabases
C19873KEGG COMPOUND
CPD-12500MetaCyc
Registry NumbersSources
Reaxys:11179367Reaxys
Citations