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CHEBI:63640 - 26-hydroxycholest-4-en-3-one

ChEBI IDCHEBI:63640
ChEBI Name26-hydroxycholest-4-en-3-one
Stars
DefinitionA cholestanoid that consists of 3-oxocholest-4-ene bearing a hydroxy substituent at position 26.
Secondary ChEBI IDCHEBI:84727
Last Modified21 March 2017
SubmitterKristian Axelsen, Steve
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
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)CCCC(C)CO
InChIInChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16,18-19,22-25,28H,5-15,17H2,1-4H3/t18?,19-,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyCXUORUGFOXGJNY-XVENTEFESA-N
ChEBI Ontology
Outgoing Relation(s)
26-hydroxycholest-4-en-3-one (CHEBI:63640) has functional parent cholest-4-en-3-one (CHEBI:16175)
26-hydroxycholest-4-en-3-one (CHEBI:63640) is a 26-hydroxy steroid (CHEBI:36852)
26-hydroxycholest-4-en-3-one (CHEBI:63640) is a 3-oxo-Δ4 steroid (CHEBI:47909)
26-hydroxycholest-4-en-3-one (CHEBI:63640) is a cholestanoid (CHEBI:50401)
Incoming Relation(s)
(25R)-26-hydroxycholest-4-en-3-one (CHEBI:83861) is a 26-hydroxycholest-4-en-3-one (CHEBI:63640)
(25S)-26-hydroxycholest-4-en-3-one (CHEBI:83860) is a 26-hydroxycholest-4-en-3-one (CHEBI:63640)
Synonyms  Source
cholest-4-ene-26-ol-3-oneChEBI
(25ξ)-26-hydroxycholest-4-en-3-oneChEBI
UniProt Name  Source
3-oxocholest-4-en-26-olUniProt
Registry NumbersSources
Reaxys:4883045Reaxys
CAS:19257-21-7Reaxys
Citations