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16alpha,17beta-estriol

Properties

Image

Occurences in reactions

MNX_ID

MNXM2673

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	13

formula

C₁₈H₂₄O₃

charge

mass

288.17254

reference

chebi:27974

InChIKey

PROQIPRRNZUXQM-ZXXIGWHRSA-N

InChI

InChI=1S/C18H24O3/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/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

SMILES

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-9008262 reactomeM:R-ALL-9008262 CHEBI:27974 chebi:27974	16alpha,17beta-estriol (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol 16alpha-hydroxyestradiol 3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene ESTRIOL Estriel Estriol Oestriol estra-1,3,5(10)-triene-3,16alpha,17beta-triol estriol oestriol trihydroxyestrin
kegg.drug:D00185 keggD:D00185	Estriol (JP18/USP) Estriel (TN)
bigg.metabolite:estriol biggM:estriol	Estriol c
hmdb:HMDB0000153	Estriol (16a,17b)-Estra-1,3,5(10)-triene-3,16,17-triol (16alpha,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol (16beta,17beta)-Estra-1,3,5(10)-triene-3,16,17-triol (1S,10R,11S,13R,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,13,14-triol 1,3,5(10)-Estratriene-3,16-a,17b-triol 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol 13b-Methyl-1,3,5(10)-gonatriene-3,16a,17b-triol 16 alpha Hydroxy estradiol 16-alpha,17-beta-Estriol 16-alpha,17-beta-Oestriol 16-alpha-Hydroxy-estradiol 16-alpha-Hydroxyestradiol 16a,17b-Estriol 16a-Estriol 16a-Hydroxyestradiol 16alpha,17beta Estriol 16alpha,17beta-Estriol 16alpha,17beta-Oestriol 16alpha,17beta-estriol 16alpha-Hydroxy-17beta-estradiol 16alpha-Hydroxyestradiol 16alpha-Hydroxyoestradiol 16alpha-hydroxyestradiol 16beta Hydroxy estradiol 16beta-Hydroxy-estradiol 3,16a,17b-Estriol 3,16a,17b-Trihydroxy-delta(1,3,5)-estratriene 3,16a,17b-Trihydroxyestra-1,3,5(10)-triene 3,16alpha,17beta-Trihydroxy-1,3,5(10)-estratriene 3,16alpha,17beta-Trihydroxy-Delta(1,3,5)-estratriene 3,16alpha,17beta-Trihydroxyestra-1,3,5(10)-triene 3,16alpha,17beta-trihydroxy-delta(1,3,5)-estratriene Aacifemine Colpogyn Colpovister Destriol Deuslon a Deuslon-a Epiestriol Estra-1,3,5(10)-triene-3,16a,17b-triol Estra-1,3,5(10)-triene-3,16beta,17beta-triol Estratriol Estriel Follicular hormone hydrate Gynasan Hemostyptanon Holin V Hormomed Incurin Klimax e Klimoral Oekolp Oestratriol Oestriol Oestriolum Orestin Orgastyptin Ortho-gynest Ovesterin Ovestin Ovestinon Ovestrion Ovo-vinces Theelol Tridestrin Trihydroxyestrin Triovex
kegg.compound:C05141 keggC:C05141	Estriol 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol
seed.compound:cpd03061 seedM:cpd03061	Estriol 1,3,5(10)-Estratriene-3,16-alpha,17beta-triol 1,3,5(10)-estratriene-3,16-alpha,17beta-triol 16,17-epiestriol 16-epiestriol 16-hydroxyestradiol estetrol estriol ovestin
lipidmaps:LMST02010003 lipidmapsM:LMST02010003	estra-1,3,5(10)-triene-3,16,17-triol O3 ST 18:3
metacyc.compound:ESTRIOL metacycM:ESTRIOL	estriol 1,3,5(10)-estratriene-3,16-alpha,17beta-triol 16,17-epiestriol 16-epiestriol 16-hydroxyestradiol estetrol ovestin
hmdb:HMDB00153 chebi:23969 chebi:42467 chebi:4869 biggM:M_estriol keggC:M_C05141 keggD:M_D00185 seedM:M_cpd03061	secondary/obsolete/fantasy identifier