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CHEBI:79757 - 1-methylestra-1,3,5(10),6-tetraene-3,17β-diol

ChEBI IDCHEBI:79757
ChEBI Name1-methylestra-1,3,5(10),6-tetraene-3,17β-diol
Stars
ASCII Name1-methylestra-1,3,5(10),6-tetraene-3,17beta-diol
DefinitionA 3-hydroxy steroid that is estra-1,3,5(10),6-tetraene substituted by a methyl group at position 1 and hydroxy groups at positions 3 and 17.
Last Modified3 March 2015
DownloadsMolfile
FormulaC19H24O2
Net Charge0
Average Mass284.399
Monoisotopic Mass284.17763
SMILES[H][C@@]12C=Cc3cc(O)cc(C)c3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H24O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-17,20-21H,5-8H2,1-2H3/t14-,15+,16+,17+,19+/m1/s1
InChIKeyWCHXTGUTQVBYIP-QSUVVDIXSA-N
ChEBI Ontology
Outgoing Relation(s)
1-methylestra-1,3,5(10),6-tetraene-3,17β-diol (CHEBI:79757) has parent hydride estrane (CHEBI:23966)
1-methylestra-1,3,5(10),6-tetraene-3,17β-diol (CHEBI:79757) is a 17β-hydroxy steroid (CHEBI:35343)
1-methylestra-1,3,5(10),6-tetraene-3,17β-diol (CHEBI:79757) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
1-methylestra-1,3,5(10),6-tetraene-3,17β-diol
Manual XrefsDatabases
C15255KEGG COMPOUND