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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (22S)-22-hydroxycampest-4-en-3-one
ChEBI ID CHEBI:72330
ChEBI ASCII Name (22S)-22-hydroxycampest-4-en-3-one
Definition A 3-oxo Δ4-steroid that is campest-4-en-3-one bearing an additional 22S-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H46O2
Net Charge 0
Average Mass 414.66360
Monoisotopic Mass 414.34978
InChI InChI=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
InChIKey FMFAICDKESPFNH-NQMBQAPESA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@H](O)C[C@@H](C)C(C)C
ChEBI Ontology
Outgoing (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 Sources
(22α)-hydroxycampest-4-en-3-one MetaCyc
(22S)-22-hydroxycampest-4-en-3-one UniProt
(22S,24R)-22-Hydroxy-ergost-4 en-3-one KEGG COMPOUND
22alpha-Hydroxy-campest-4-en-3-one KEGG COMPOUND
22S-hydroxycampest-4-en-3-one LIPID MAPS
Manual Xrefs Databases
C00007519 KNApSAcK
C15796 KEGG COMPOUND
CPD-3945 MetaCyc
LMST01031116 LIPID MAPS
View more database links
Registry Number Type Source
8008875 Reaxys Registry Number Reaxys
Last Modified
07 January 2022