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

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ChEBI Name 26-hydroxycholest-4-en-3-one ChEBI ID CHEBI:63640 Definition A cholestanoid that consists of 3-oxocholest-4-ene bearing a hydroxy substituent at position 26. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Secondary ChEBI IDs CHEBI:84727 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H44O2 Net Charge 0 Average Mass 400.63710 Monoisotopic Mass 400.33413 InChI InChI=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 InChIKey CXUORUGFOXGJNY-XVENTEFESA-N SMILES CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ChEBI Ontology Outgoing 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 (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 Sources (25ξ)-26-hydroxycholest-4-en-3-one ChEBI 3-oxocholest-4-en-26-ol UniProt cholest-4-ene-26-ol-3-one ChEBI Registry Numbers Types Sources 19257-21-7 CAS Registry Number Reaxys 4883045 Reaxys Registry Number Reaxys Citation Type Source 19843222 PubMed citation SUBMITTER Last Modified 21 March 2017