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17alpha-estradiol

MNXM732973 is deprecated and replaced by MNXM732972
PropertiesImage
MNX_IDMNXM732972 Image of MNXM732972
referencechebi:17160
formulaC18H24O2
global charge0
mol weight272.388
InChIKeyVOXZDWNPVJITMN-SFFUCWETSA-N
InChIInChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1CC[C@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 Image of MNXM732972
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([OH:19])[CH:10]=[C:11]4[CH2:2][CH2:4][C@H:15]3[C@@H:16]1[CH2:6][CH2:7][C@H:17]2[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17160
chebi:17160
VOXZDWNPVJITMN-SFFUCWETSA-N 		17alpha-estradiol
(17alpha)-estra-1,3,5(10)-triene-3,17-diol
1,3,5-estratriene-3,17alpha-diol
13beta-methyl-1,3,5(10)-gonatriene-3,17alpha-diol
17-epiestradiol
17alpha-Estradiol
17alpha-oestradiol
3,17alpha-dihydroxyestra-1,3,5(10)-triene
3,17alpha-dihydroxyoestra-1,3,5(10)-triene
Estradiol-17alpha
alfatradiol
alfatradiolum
alpha-estradiol
epiestradiol
epiestrol
estra-1,3,5(10)-triene-3,17alpha-diol
estra-1,3,5(10)trien-3,17alpha-diol
oestra-1,3,5(10)-triene-3,17alpha-diol
hmdb:HMDB0000429
VOXZDWNPVJITMN-SFFUCWETSA-N 		17alpha-Estradiol
(1S,10R,11S,14R,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-5,14-diol
1,3,5-Estratriene-3,17a-diol
13b-Methyl-1,3,5(10)-gonatriene-3,17a-diol
17-Epiestradiol
17a-Estradiol
17a-Oestradiol
17alpha-estradiol
3,17-Dihydroxyestratriene
3,17a-Dihydroxyestra-1,3,5(10)-triene
3,17a-Dihydroxyoestra-1,3,5(10)-triene
Alfatradiol
Epiestradiol
Epiestrol
Estra-1,3,5(10)-triene-3,17a-diol
Estra-1,3,5(10)trien-3,17a-diol
Estra-1,3,5(10)trien-3,17alpha-diol
Estradiol-17a
Estradiol-17alpha
Oestra-1,3,5(10)-triene-3,17a-diol
a-Estradiol
alpha-Estradiol
alpha-estradiol

seed.compound:cpd01668
seedM:cpd01668
VOXZDWNPVJITMN-SFFUCWETSA-N 		17alpha-Estradiol
Estradiol-17alpha
estradiol-17alpha

SLM:000597781
slm:000597781
VOXZDWNPVJITMN-SFFUCWETSA-N 		17alpha-estradiol

metacyc.compound:CPD-351
metacycM:CPD-351
VOXZDWNPVJITMN-SFFUCWETSA-N 		17alpha-estradiol
alpha-Estradiol
estradiol-17alpha

kegg.drug:D07121
keggD:D07121
VOXZDWNPVJITMN-SFFUCWETSA-N 		Alfatradiol (INN)
17alpha-Estradiol

sabiork.compound:6254
sabiorkM:6254
kegg.compound:C02537
keggC:C02537
VOXZDWNPVJITMN-SFFUCWETSA-N 		Estradiol-17alpha
17alpha-Estradiol

lipidmaps:LMST02010029
lipidmapsM:LMST02010029
VOXZDWNPVJITMN-SFFUCWETSA-N 		Estradiol-17alpha
17alpha-Estradiol
O2
ST 18:3
estra-1,3,5(10)-triene-3,17alpha-diol

hmdb:HMDB00429
chebi:14217
chebi:23961
chebi:4862
keggC:M_C02537
keggD:M_D07121
seedM:M_cpd01668 		secondary/obsolete/fantasy identifier