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CHEBI:80402 - (22R,23R)-22,23-dihydroxycampest-4-en-3-one

ChEBI IDCHEBI:80402
ChEBI Name(22R,23R)-22,23-dihydroxycampest-4-en-3-one
Stars
ASCII Name(22R,23R)-22,23-dihydroxycampest-4-en-3-one
DefinitionA 3-oxo Δ4-steroid that is (22S)-22-hydroxycampest-4-en-3-one bearing an additional hydroxy substituent at position 23R.
Last Modified7 January 2022
DownloadsMolfile
FormulaC28H46O3
Net Charge0
Average Mass430.673
Monoisotopic Mass430.34470
SMILES[H][C@@]12CCC3=CC(=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/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h15-18,21-26,30-31H,7-14H2,1-6H3/t17-,18-,21-,22+,23-,24-,25+,26+,27-,28+/m0/s1
InChIKeyPCLHVGYGQYOJEF-YPODHHRNSA-N
ChEBI Ontology
Outgoing Relation(s)
(22R,23R)-22,23-dihydroxycampest-4-en-3-one (CHEBI:80402) has parent hydride campestane (CHEBI:35518)
(22R,23R)-22,23-dihydroxycampest-4-en-3-one (CHEBI:80402) is a (22S)-22-hydroxy C28-steroid (CHEBI:188922)
(22R,23R)-22,23-dihydroxycampest-4-en-3-one (CHEBI:80402) is a 3-oxo-Δ4 steroid (CHEBI:47909)
(22R,23R)-22,23-dihydroxycampest-4-en-3-one (CHEBI:80402) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22R,23R,24S)-22,23-dihydroxyergost-4-en-3-one
Synonyms  Source
(22R,23R)-22,23-dihydroxy-campest-4-en-3-oneKEGG COMPOUND
3-oxo-campest-4-en-22R,23R-diolLIPID MAPS
22R,23R-dihydroxy-campest-4-en-3-oneLIPID MAPS
UniProt Name  Source
(22R,23R)-22,23-dihydroxycampest-4-en-3-oneUniProt
Manual XrefsDatabases
C16253KEGG COMPOUND
CPD-12496MetaCyc
LMST01031124LIPID MAPS
Citations