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CHEBI:23051 - castasterone

Default Structure
ChEBI IDCHEBI:23051
ChEBI Namecastasterone
Stars
Last Modified6 January 2022
DownloadsMolfile
FormulaC28H48O5
Net Charge0
Average Mass464.687
Monoisotopic Mass464.35017
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)C
InChIInChI=1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23-,24+,25+,26+,27+,28+/m0/s1
InChIKeyVYUIKSFYFRVQLF-YLNAYWRASA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
castasterone (CHEBI:23051) has role plant growth stimulator (CHEBI:26157)
castasterone (CHEBI:23051) is a 22-hydroxy steroid (CHEBI:36863)
castasterone (CHEBI:23051) is a 23-hydroxy steroid (CHEBI:36866)
castasterone (CHEBI:23051) is a 2α-hydroxy steroid (CHEBI:36858)
castasterone (CHEBI:23051) is a 3α-hydroxy steroid (CHEBI:36835)
castasterone (CHEBI:23051) is a 6-oxo steroid (CHEBI:36883)
castasterone (CHEBI:23051) is a brassinosteroid (CHEBI:22921)
Incoming Relation(s)
26-hydroxycastasterone (CHEBI:133216) has functional parent castasterone (CHEBI:23051)
6-deoxocastasterone (CHEBI:20712) has functional parent castasterone (CHEBI:23051)
6α-hydroxycastasterone (CHEBI:20760) has functional parent castasterone (CHEBI:23051)
castasterone 23-O-α-D-glucoside (CHEBI:133472) has functional parent castasterone (CHEBI:23051)
IUPAC Name 
(22R,23R)-2α,3α,22,23-tetrahydroxy-5α-campestan-6-one
Synonym  Source
(2α,3α,5α,22R,23R,24S)-2,3,22,23-tetrahydroxyergostan-6-oneChemIDplus
UniProt Name  Source
castasteroneUniProt
Manual XrefsDatabases
C00000181KNApSAcK
C15794KEGG COMPOUND
LMST01030129LIPID MAPS
Registry NumbersSources
Beilstein:3657132Beilstein
CAS:80736-41-0ChemIDplus
CAS:80736-41-0KEGG COMPOUND
Citations