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4-hydroxy-17beta-estradiol

PropertiesImage
MNX_IDMNXM1371192 Image of MNXM1371192
referencechebi:62845
formulaC18H24O3
global charge0
mol weight288.387
InChIKeyQOZFCKXEVSGWGS-ZHIYBZGJSA-N
InChIInChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=CC=C(O)C(O)=C4CC[C@H]3[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1 Image of MNXM1371192
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:11]3[C:10]4=[CH:4][CH:6]=[C:15]([OH:19])[C:17]([OH:21])=[C:13]4[CH2:3][CH2:2][C@H:12]3[C@@H:14]1[CH2:5][CH2:7][C@@H:16]2[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 13
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-211973
reactomeM:R-ALL-211973
CHEBI:62845
chebi:62845
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-hydroxy-17beta-estradiol
3,4,17beta-estriol
3,4,17beta-trihydroxy-1,3,5[10]-estratriene
4-Hydroxyestradiol-17beta
4-OH-Estradiol
4-hydroxyestradiol
4OHE2
estra-1,3,5(10)-triene-3,14,17beta-triol

bigg.metabolite:hestratriol
biggM:hestratriol
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4,17 dihydroxy estradiol

vmhM:hestratriol
vmhmetabolite:hestratriol
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4,17 dihydroxy estradiol
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,6,14-triol

kegg.compound:C14209
keggC:C14209
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-Hydroxy-17beta-estradiol
4-Hydroxyestradiol
4-OH-Estradiol

sabiork.compound:21039
sabiorkM:21039
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-Hydroxyestradiol

sabiork.compound:21470
sabiorkM:21470
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-Hydroxyestradiol-17beta
4-OH-Estradiol
hmdb:HMDB0005896
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-Hydroxyestradiol
(17beta)-Estra-1,3,5(10)-triene-3,4,17-triol
(17beta)-estra-1,3,5(10)-triene-3,4,17-triol
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,6,14-triol
3,4,17b-Estriol
3,4,17b-Trihydroxy-1,3,5[10]-estratriene
3,4,17beta-Estriol
3,4,17beta-Trihydroxy-1,3,5[10]-estratriene
3,4,17beta-estriol
3,4,17beta-trihydroxy-1,3,5[10]-estratriene
4-Hydroxy-17beta-estradiol
4-Hydroxyestradiol-17 alpha
4-Hydroxyestradiol-17 beta
4-Hydroxyestradiol-17b
4-Hydroxyestradiol-17beta
4-OH-Estradiol
4OHE2
Estra-1,3,5(10)-triene-3,4,17beta-triol

seed.compound:cpd09908
seedM:cpd09908
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-OH-Estradiol
4-Hydroxyestradiol-17beta

SLM:000485708
slm:000485708
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-hydroxy-17beta-estradiol

vmhM:CE2179
vmhmetabolite:CE2179
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-hydroxy-17beta-estradiol
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,6,14-triol

lipidmaps:LMST02010028
lipidmapsM:LMST02010028
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		4-hydroxyestradiol
O3
ST 18:3
estra-1,3,5(10)-triene-2,4,17beta-triol

envipath:...71135e895af3
envipathM:...71135e895af3
QOZFCKXEVSGWGS-ZHIYBZGJSA-N 		compound 0044846

hmdb:HMDB05896
chebi:34424
biggM:M_hestratriol
keggC:M_C14209
seedM:M_cpd09908
vmhM:M_CE2179
vmhM:M_hestratriol 		secondary/obsolete/fantasy identifier