Search MNXref
 Feedback

17-beta-Estradiol-3,17-beta-sulfate

PropertiesImage
MNX_IDMNXM116195 Image of MNXM116195
referencechebi:184771
formulaC18H24O8S2
global charge0
mol weight432.516
InChIKeyVPLAJGAMHNQZIY-ZBRFXRBCSA-N
InChIInChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1
SMILESC[C@]12CC[C@@H]3C4=C(C=C(OS(=O)(=O)O)C=C4)CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O
MNX internals
InChI (mnx)InChI=1/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1 Image of MNXM116195
SMILES (mnx)[CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([O:25][S:27]([OH:19])(=[O:20])=[O:21])[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:26][S:28]([OH:22])(=[O:23])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184771
chebi:184771
VPLAJGAMHNQZIY-ZBRFXRBCSA-N 		17-beta-Estradiol-3,17-beta-sulfate
[(8R,9S,13S,14S,17S)-13-methyl-3-sulooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulate
hmdb:HMDB0041620
VPLAJGAMHNQZIY-ZBRFXRBCSA-N 		17-Beta-Estradiol-3,17-beta-sulfate
17-b-Estradiol-3,17-b-sulfate
17-b-Estradiol-3,17-b-sulfuric acid
17-b-Estradiol-3,17-b-sulphate
17-b-Estradiol-3,17-b-sulphuric acid
17-beta-Estradiol-3,17-beta-sulfuric acid
17-beta-Estradiol-3,17-beta-sulphate
17-beta-Estradiol-3,17-beta-sulphuric acid
17-beta-estradiol-3,17-beta-sulfate
17-beta-estradiol-3,17-beta-sulfuric acid
17-beta-estradiol-3,17-beta-sulphate
17-beta-estradiol-3,17-beta-sulphuric acid
17beta-Estradiol-3,17-disulfate
Estradiol 3,17-disulfate
Estradiol 3,17-disulfate, (17alpha)-isomer
Estradiol 3,17-disulfate, dipotassium salt, (17beta)-isomer
Estradiol 3,17-disulfate, disodium salt, (17beta)-isomer
[(1S,10R,11S,14S,15S)-15-methyl-5-(sulfooxy)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl]oxidanesulfonic acid
e2-3S-17S

lipidmaps:LMST05020041
lipidmapsM:LMST05020041
VPLAJGAMHNQZIY-ZBRFXRBCSA-N 		17-Beta-Estradiol-3,17-beta-sulfate
estra-1,3,5(10)-triene-3,17beta-diol 3,17-disulfate

hmdb:HMDB41620 		secondary/obsolete/fantasy identifier