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16alpha,17beta-estriol

PropertiesImage
MNX_IDMNXM2673 Image of MNXM2673
referencechebi:27974
formulaC18H24O3
global charge0
mol weight288.387
InChIKeyPROQIPRRNZUXQM-ZXXIGWHRSA-N
InChIInChI=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
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM2673
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:13]3[C:12]4=[CH:5][CH:3]=[C:11]([OH:19])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:15]1[CH2:9][C@@H:16]([OH:20])[C@@H:17]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9008262
reactomeM:R-ALL-9008262
CHEBI:27974
chebi:27974
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		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
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		Estriol (JP18/USP)
Estriel (TN)

bigg.metabolite:estriol
biggM:estriol
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		Estriol c
hmdb:HMDB0000153
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		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
13beta-Methyl-1,3,5(10)-gonatriene-3,16alpha,17beta-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-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-Estriol
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
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		Estriol
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol

seed.compound:cpd03061
seedM:cpd03061
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		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
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		Estriol
O3
ST 18:3
estra-1,3,5(10)-triene-3,16,17-triol

SLM:000501292
slm:000501292
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		estriol

vmhM:estriol
vmhmetabolite:estriol
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		estriol
(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

metacyc.compound:ESTRIOL
metacycM:ESTRIOL
PROQIPRRNZUXQM-ZXXIGWHRSA-N 		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
vmhM:M_estriol 		secondary/obsolete/fantasy identifier