CHEBI:79785 - 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate
ChEBI ID CHEBI:79785
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H40O3
Net Charge 0
Average Mass 400.59400
Monoisotopic Mass 400.29775
InChI InChI=1S/C26H40O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h17-18,20-23H,3-16H2,1-2H3/t18-,20-,21-,22-,23-,25-,26-/m0/s1
InChIKey YOVFVQWNQMEMNF-LVYWIKMTSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1
ChEBI Ontology
Outgoing 17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate (CHEBI:79785) is a 3-oxo-5α-steroid (CHEBI:13601)
17beta-Hydroxy-5alpha-androstan-3-one cyclohexanecarboxylate (CHEBI:79785) is a steroid ester (CHEBI:47880)
Manual Xref Database
C15283 KEGG COMPOUND
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Last Modified
26 April 2017