CHEBI:34186 - 19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol
ChEBI ID CHEBI:34186
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28O2
Net Charge 0
Average Mass 300.436
Monoisotopic Mass 300.20893
InChI InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,14,16-18,21-22H,4-12H2,2H3/t14-,16-,17-,18+,19+,20+/m1/s1
InChIKey XSQAQKNJHGGMRV-KXMHTTHWSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCC4=C3CC[C@@H](O)C4)[C@@H]1CC[C@@]2(O)C#C
ChEBI Ontology
Outgoing 19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol (CHEBI:34186) is a 17-hydroxy steroid (CHEBI:36838)
Synonyms Sources
17alpha-Ethynylestr-5(10)-ene-3alpha,17beta-diol KEGG COMPOUND
19-Nor-17alpha-pregn-5(10)-en-20-yne-3alpha,17beta-diol KEGG COMPOUND
Manual Xref Database
C14652 KEGG COMPOUND
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Registry Number Type Source
21466-08-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014