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

Properties

Image

Occurences in reactions

MNX_ID

MNXM116195

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₈H₂₄O₈S₂

charge

mass

432.09126

reference

lipidmapsM:LMST05020041

InChIKey

VPLAJGAMHNQZIY-ZBRFXRBCSA-N

InChI

InChI=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

SMILES

C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
lipidmaps:LMST05020041 lipidmapsM:LMST05020041	17-Beta-Estradiol-3,17-beta-sulfate estra-1,3,5(10)-triene-3,17?-diol 3,17-disulfate
hmdb:HMDB0041620	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
hmdb:HMDB41620	secondary/obsolete/fantasy identifier