CHEBI:79655 - 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one
ChEBI ID CHEBI:79655
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H34O3
Net Charge 0
Average Mass 334.49290
Monoisotopic Mass 334.25079
InChI InChI=1S/C21H34O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h13-17,22,24H,4-12H2,1-3H3/t13-,14-,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey GGRVPLDBVRRQSR-NWIHUDFTSA-N
SMILES C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](CO)C[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one (CHEBI:79655) is a 3-oxo-5α-steroid (CHEBI:13601)
Manual Xref Database
C15137 KEGG COMPOUND
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Registry Number Type Source
20592-44-3 CAS Registry Number KEGG COMPOUND
Last Modified
26 April 2017