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2-hydroxy-17beta-estradiol

PropertiesImage
MNX_IDMNXM733546 Image of MNXM733546
referencechebi:28744
formulaC18H24O3
global charge0
mol weight288.387
InChIKeyDILDHNKDVHLEQB-XSSYPUMDSA-N
InChIInChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(O)C(O)=C4)CC[C@H]3[C@@H]1CC[C@@H]2O
MNX internals
InChI (mnx)InChI=1/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 Image of MNXM733546
SMILES (mnx)[CH3:1][C@:18]12[CH2:7][CH2:6][C@H:11]3[C@@H:12]([CH2:3][CH2:2][C:10]4=[CH:8][C:15]([OH:19])=[C:16]([OH:20])[CH:9]=[C:13]43)[C@@H:14]1[CH2:4][CH2:5][C@@H:17]2[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28744
chebi:28744
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-hydroxy-17beta-estradiol
(17beta)-estra-1,3,5(10)-triene-2,3,17-triol
2-Hydroxyestradiol-17beta
2-OH-E2
2-OH-Estradiol
2-OH-estradiol
estra-1,3,5(10)-triene-2,3,17beta-triol

sabiork.compound:21019
sabiorkM:21019
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-Hydroxyestradiol

bigg.metabolite:C05301
biggM:C05301
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-Hydroxyestradiol-17beta

vmhM:C05301
vmhmetabolite:C05301
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-Hydroxyestradiol-17beta
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol

sabiork.compound:7839
sabiorkM:7839
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-Hydroxyestradiol-17beta
2-OH-Estradiol
hmdb:HMDB0000338
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-Hydroxyestradiol
(17b)-Estra-1,3, 5(10)-triene-2,3,17-triol
(17b)-Estra-1,3,5(10)-triene-2,3,17-triol
(17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol
(17beta)-Estra-1,3,5(10)-triene-2,3,17-triol
(17beta)-estra-1,3,5(10)-triene-2,3,17-triol
(1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2(7),3,5-triene-4,5,14-triol
1,3,5(10)-Estratriene-2,3,17Beta-triol
17beta-2-Hydroxyestradiol
2,3,17b-Trihydroxyestra-1,3,5(10)-triene
2-Hydroxy-17beta-estradiol
2-Hydroxy-estradiol
2-Hydroxyestradiol, (17alpha)-isomer
2-Hydroxyestradiol, 4-(14)C-labeled
2-Hydroxyestradiol-17 alpha
2-Hydroxyestradiol-17 beta
2-Hydroxyestradiol-17b
2-Hydroxyestradiol-17beta
2-OH-Estradiol
2-OH-e2
ECS
Estra-1,3,5 (10)-triene-2,3,17.beta.-triol
Estra-1,3,5(10)-triene-2,3,17-beta-triol
Estra-1,3,5(10)-triene-2,3,17-triol (acd/name 4.0)
Estra-1,3,5(10)-triene-2,3,17b-triol
Estra-1,3,5(10)-triene-2,3,17beta-triol

kegg.compound:C05301
keggC:C05301
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-Hydroxyestradiol
2-Hydroxyestradiol-17beta
2-OH-Estradiol

seed.compound:cpd03146
seedM:cpd03146
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-OH-Estradiol
(17 beta)-estra-1,3,5(10)-triene-2,3,17-triol
2-Hydroxyestradiol
2-Hydroxyestradiol-17beta
2-hydroxyestradiol
2-hydroxyestradiol-17 alpha
2-hydroxyestradiol-17 beta

SLM:000485705
slm:000485705
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-hydroxy-17beta-estradiol

lipidmaps:LMST02010027
lipidmapsM:LMST02010027
DILDHNKDVHLEQB-XSSYPUMDSA-N 		2-hydroxyestradiol
O3
ST 18:3
estra-1,3,5(10)-triene-2,3,17beta-triol

envipath:...9d3365304fad
envipathM:...9d3365304fad
DILDHNKDVHLEQB-XSSYPUMDSA-N 		compound 0044847

hmdb:HMDB0003962
hmdb:HMDB00338
hmdb:HMDB03962
chebi:1155
chebi:19637
chebi:42267
biggM:M_C05301
keggC:M_C05301
seedM:M_cpd03146
vmhM:M_C05301 		secondary/obsolete/fantasy identifier