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16beta-hydroxyestrone

PropertiesImage
MNX_IDMNXM164064 Image of MNXM164064
referencechebi:87628
formulaC18H22O3
global charge0
mol weight286.371
InChIKeyWPOCIZJTELRQMF-LFRCEIEQSA-N
InChIInChI=1S/C18H22O3/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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,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)C2=O
MNX internals
InChI (mnx)InChI=1/C18H22O3/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/h3,5,8,13-16,19-20H,2,4,6-7,9H2,1H3/t13-,14-,15+,16+,18+/m1/s1 Image of MNXM164064
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:17]2=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:87628
chebi:87628
WPOCIZJTELRQMF-LFRCEIEQSA-N 		16beta-hydroxyestrone
(16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
16-Hydroxyestrone
16beta-Hydroxyestrone
3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
3,16beta-dihydroxy-estra-1,3,5(10)-trien-17-one
3,16beta-dihydroxyestra-1,3,5(10)-trien-17-one

sabiork.compound:25956
sabiorkM:25956 		16-Hydroxyestrone
hmdb:HMDB0000313
WPOCIZJTELRQMF-LFRCEIEQSA-N 		16b-Hydroxyestrone
(16b)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
(16beta)-3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
(16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one
(1S,10R,11S,13S,15S)-5,13-dihydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2(7),3,5-trien-14-one
16 alpha-Hydroxyestrone
16 alpha-hydroxyestrone
16 beta-Hydroxyestrone
16-Hydroxyestrone
16-alpha-Hydroxyestrone
16alpha-Hydroxyestrone
16beta-Hydroxyestrone
3,16-Dihydroxy-estra-1,3,5(10)-trien-17-one
3,16-Dihydroxyestra-1,3,5(10)-trien-17-one
3,16b-Dihydroxy-estra-1,3,5(10)-trien-17-one
3,16beta-Dihydroxy-estra-1,3,5(10)-trien-17-one
3,16beta-dihydroxy-estra-1,3,5(10)-trien-17-one

lipidmaps:LMST02010046
lipidmapsM:LMST02010046
WPOCIZJTELRQMF-LFRCEIEQSA-N 		16b-Hydroxyestrone
O3
ST 18:4

hmdb:HMDB00313 		secondary/obsolete/fantasy identifier