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CHEBI:59411 - (5α,22S,24R)-22-hydroxyergostan-3-one

ChEBI IDCHEBI:59411
ChEBI Name(5α,22S,24R)-22-hydroxyergostan-3-one
Stars
ASCII Name(5alpha,22S,24R)-22-hydroxyergostan-3-one
DefinitionA brassinosteroid that is 6-deoxocathasterone in which the hydroxy group at position 3 has been oxidised to the corresponding ketone.
Last Modified28 March 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48O2
Net Charge0
Average Mass416.690
Monoisotopic Mass416.36543
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)[C@@H](O)C[C@@H](C)C(C)C)[C@@]1(C)CCC(=O)C2
InChIInChI=1S/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-20,22-26,30H,7-16H2,1-6H3/t18-,19+,20+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKeyXGIZPVUTLMXXTK-VNSZYHACSA-N
ChEBI Ontology
Outgoing Relation(s)
(5α,22S,24R)-22-hydroxyergostan-3-one (CHEBI:59411) has parent hydride campestane (CHEBI:35518)
(5α,22S,24R)-22-hydroxyergostan-3-one (CHEBI:59411) is a 22-hydroxy steroid (CHEBI:36863)
(5α,22S,24R)-22-hydroxyergostan-3-one (CHEBI:59411) is a 3-oxo-5α-steroid (CHEBI:13601)
(5α,22S,24R)-22-hydroxyergostan-3-one (CHEBI:59411) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22S,24R)-22-hydroxy-5α-ergostan-3-one
Synonyms  Source
(5α,22S,24R)-22-hydroxyergostan-3-oneChEBI
(22S,24R)-22-hydroxy-5α-ergostan-3-oneChEBI
22alpha-Hydroxy-5alpha-campestan-3-oneKEGG COMPOUND
(22S)-22-hydroxy-5α-campestan-3-oneMetaCyc
22S-hydroxy-5α-campestan-3-oneLIPID MAPS
(22S,24R)-22-Hydroxy-5alpha-ergostan-3-oneKEGG COMPOUND
UniProt Name  Source
(22S,24R)-22-hydroxy-5α-ergostan-3-oneUniProt
Manual XrefsDatabases
C15797KEGG COMPOUND
LMST01031117LIPID MAPS
CPD-3946MetaCyc
C00007520KNApSAcK
Registry NumbersSources
Reaxys:8005941Reaxys
Citations