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17beta-estradiol 17-sulfate

PropertiesImage
MNX_IDMNXM819805 Image of MNXM819805
referencechebi:190469
formulaC18H23O5S
global charge-1
mol weight351.444
InChIKeyJSUDNGPWAXYETN-ZBRFXRBCSA-M
InChIInChI=1S/C18H24O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/p-1/t14-,15-,16+,17+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H24O5S/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1 Image of MNXM819805
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[O:23][S:24]([OH:20])(=[O:21])=[O:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:190469
chebi:190469
JSUDNGPWAXYETN-ZBRFXRBCSA-M 		17beta-estradiol 17-sulfate
17beta-estradiol 17-sulfate(1-)
3-hydroxyestra-1(10),2,4-trien-17beta-yl sulfate

CHEBI:191192
chebi:191192
JSUDNGPWAXYETN-ZBRFXRBCSA-N 		17beta-estradiol 17-sulfate
(17beta)-estra-1,3,5(10)-triene-3,17-diol 17-(hydrogen sulfate)
17beta-estradiol-17-sulfate
3,17beta-dihydroxyestra-1,3,5(10)-triene 17-sulfate
3-hydroxyestra-1(10),2,4-trien-17beta-yl hydrogen sulfate
estra-1,3,5(10)-triene-3,17beta-diol 17beta-(hydrogen sulfate)
estradiol 17-(hydrogen sulfate)
estradiol 17-sulfate
estradiol 17beta-sulfate
estradiol-17-sulfate

sabiork.compound:31342
sabiorkM:31342
JSUDNGPWAXYETN-ZBRFXRBCSA-N 		Estradiol 17-sulfate