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16alpha-hydroxyestrone

Properties

Image

Occurences in reactions

MNX_ID

MNXM3794

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	9

formula

C₁₈H₂₂O₃

charge

mass

286.15689

reference

InChIKey

WPOCIZJTELRQMF-QFXBJFAPSA-N

InChI

InChI=1S/C18H22O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,18+/m1/s1

SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)C2=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:776 chebi:776	16alpha-hydroxyestrone 16 alpha OHE 16alpha-Hydroxyestrone 16alpha-OHE 16alpha-OHE1 3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one 3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one 3,16alpha-dihydroxyestra-1,3,5(10)-trien-17-one estra-1,3,5(10)-triene-3,16alpha-diol-17-one
hmdb:HMDB0000335	16a-Hydroxyestrone (1S,10R,11S,13R,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-trien-14-one 16 a OHE 16 alpha OHE 16 alpha ohe 16 alpha-Hydroxyestrone 16 beta-Hydroxyestrone 16-Hydroxyestrone 16-alpha-Hydroxyestrone 3,16a-Dihydroxy-1,3,5(10)-estratrien-17-one 3,16a-Dihydroxy-estra-1,3,5(10)-trien-17-one 3,16a-Dihydroxyestra-1,3,5(10)-trien-17-one 3,16alpha-Dihydroxy-1,3,5(10)-estratrien-17-one 3,16alpha-Dihydroxyestra-1,3,5(10)-trien-17-one 3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one 3,16alpha-dihydroxyestra-1,3,5(10)-trien-17-one Estra-1,3,5(10)-triene-3,16a-diol-17-one Estra-1,3,5(10)-triene-3,16alpha-diol-17-one
bigg.metabolite:C05300 biggM:C05300 seed.compound:cpd03145 seedM:cpd03145 kegg.compound:C05300 keggC:C05300	16alpha-Hydroxyestrone
SLM:000485703 slm:000485703	16alpha-hydroxyestrone
lipidmaps:LMST02010041 lipidmapsM:LMST02010041	16alpha-hydroxyestrone 1.16a-Hydroxyestrone 3,16alpha-dihydroxy-1,3,5(10)-estratrien-17-one O3 ST 18:4
hmdb:HMDB00335 chebi:60497 biggM:M_C05300 keggC:M_C05300 seedM:M_cpd03145	secondary/obsolete/fantasy identifier