CHEBI:2287 - 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
ChEBI ID CHEBI:2287
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H46O3
Net Charge 0
Average Mass 418.653
Monoisotopic Mass 418.34470
InChI InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17?,18-,20?,21?,22?,23-,24+,25?,26?,27?/m1/s1
InChIKey HHVQPBXBALLUDF-SVWKRCSNSA-N
SMILES CC(C)CCCC(C)C1CCC2C3[C@H](O)C[C@H]4CC(=O)CCC4(C)C3C[C@H](O)C12C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
ChEBI Ontology
Outgoing 7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one (CHEBI:2287) is a 3-oxo-5α-steroid (CHEBI:13601)
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one (CHEBI:2287) is a cholestanoid (CHEBI:50401)
Synonym Source
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one KEGG COMPOUND
Manual Xref Database
C05458 KEGG COMPOUND
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Last Modified
26 April 2017