CHEBI:157655 - 25-hydroxycholest-1,4-dien-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 25-hydroxycholest-1,4-dien-3-one
ChEBI ID CHEBI:157655
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C27H42O2
Net Charge 0
Average Mass 398.631
Monoisotopic Mass 398.31848
InChI InChI=1S/C27H42O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h12,15,17-18,21-24,29H,6-11,13-14,16H2,1-5H3/t18-,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey PFXYJIRDMVQBGX-REEZCCHISA-N
SMILES [C@]12([C@]([C@]3([C@](CC1)([C@@]4(C(=CC(C=C4)=O)CC3)C)[H])[H])(CC[C@@]2([C@@H](CCCC(C)(C)O)C)[H])[H])C
ChEBI Ontology
Outgoing 25-hydroxycholest-1,4-dien-3-one (CHEBI:157655) is a 3-oxo-Δ4 steroid (CHEBI:47909)
25-hydroxycholest-1,4-dien-3-one (CHEBI:157655) is a cholestanoid (CHEBI:50401)
Synonym Source
25-hydroxycholest-1,4-dien-3-one UniProt
Manual Xref Database
CPD-23330 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
28482186 PubMed citation SUBMITTER