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CHEBI:27173 - typhasterol

ChEBI IDCHEBI:27173
ChEBI Nametyphasterol
Stars
DefinitionA brassinosteroid that is ergostan-6-one bearing three additional hydroxy substituents at positions 3α, 22R and 23R.
Last Modified17 December 2021
DownloadsMolfile
FormulaC28H48O4
Net Charge0
Average Mass448.688
Monoisotopic Mass448.35526
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)[C@@H](C)C(C)C
InChIInChI=1S/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3/t16-,17-,18+,19-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1
InChIKeySBSXXCCMIWEPEE-SELDZKRUSA-N
Species of MetaboliteComponentSourceComments
Brassica juncea (ncbitaxon:3707) - PubMed (25700090)
Oryza sativa (ncbitaxon:4530) seed (BTO:0001226) PubMed (25433632)
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)
typhasterol (CHEBI:27173) has parent hydride 5α-campestane (CHEBI:20640)
typhasterol (CHEBI:27173) has role plant metabolite (CHEBI:76924)
typhasterol (CHEBI:27173) is a 22-hydroxy steroid (CHEBI:36863)
typhasterol (CHEBI:27173) is a 23-hydroxy steroid (CHEBI:36866)
typhasterol (CHEBI:27173) is a 3α-sterol (CHEBI:35347)
typhasterol (CHEBI:27173) is a 6-oxo steroid (CHEBI:36883)
typhasterol (CHEBI:27173) is a brassinosteroid (CHEBI:22921)
typhasterol (CHEBI:27173) is a C28-steroid (CHEBI:188921)
Incoming Relation(s)
6-deoxotyphasterol (CHEBI:20717) has functional parent typhasterol (CHEBI:27173)
IUPAC Name 
(3α,5α,22R,23R,24S)-3,22,23-trihydroxyergostan-6-one
Synonym  Source
2-DeoxycastasteroneHMDB
UniProt Name  Source
typhasterolUniProt
Manual XrefsDatabases
C00000185KNApSAcK
C15793KEGG COMPOUND
HMDB0034423HMDB
CPD-719MetaCyc
Registry NumbersSources
Reaxys:3629989Reaxys
CAS:87734-68-7KNApSAcK
Citations