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CHEBI:72330 - (22S)-22-hydroxycampest-4-en-3-one

ChEBI IDCHEBI:72330
ChEBI Name(22S)-22-hydroxycampest-4-en-3-one
Stars
ASCII Name(22S)-22-hydroxycampest-4-en-3-one
DefinitionA 3-oxo Δ4-steroid that is campest-4-en-3-one bearing an additional 22S-hydroxy substituent.
Last Modified7 January 2022
SubmitterSteve
DownloadsMolfile
FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
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[C@@H](C)C(C)C
InChIInChI=1S/C28H46O2/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/h16-19,22-26,30H,7-15H2,1-6H3/t18-,19+,22+,23-,24+,25+,26+,27+,28-/m1/s1
InChIKeyFMFAICDKESPFNH-NQMBQAPESA-N
ChEBI Ontology
Outgoing Relation(s)
(22S)-22-hydroxycampest-4-en-3-one (CHEBI:72330) has parent hydride campestane (CHEBI:35518)
(22S)-22-hydroxycampest-4-en-3-one (CHEBI:72330) is a (22S)-22-hydroxy C28-steroid (CHEBI:188922)
(22S)-22-hydroxycampest-4-en-3-one (CHEBI:72330) is a 3-oxo-Δ4 steroid (CHEBI:47909)
(22S)-22-hydroxycampest-4-en-3-one (CHEBI:72330) is a brassinosteroid (CHEBI:22921)
IUPAC Name 
(22S,24R)-22-hydroxyergost-4-en-3-one
Synonyms  Source
22alpha-Hydroxy-campest-4-en-3-oneKEGG COMPOUND
(22S,24R)-22-Hydroxy-ergost-4 en-3-oneKEGG COMPOUND
22S-hydroxycampest-4-en-3-oneLIPID MAPS
(22α)-hydroxycampest-4-en-3-oneMetaCyc
UniProt Name  Source
(22S)-22-hydroxycampest-4-en-3-oneUniProt
Manual XrefsDatabases
C00007519KNApSAcK
C15796KEGG COMPOUND
CPD-3945MetaCyc
LMST01031116LIPID MAPS
Registry NumbersSources
Reaxys:8008875Reaxys