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Estradiol 17-O-glucuronide Sulfate

PropertiesImage
MNX_IDMNXM1594068 Image of MNXM1594068
referencevmhM:estrdl17glcursulf
vmhM:estrdl17glcursulf
formulaC24H30O11S
global charge-2
mol weight526.56
InChIKeyIJATWYJZSVYJPL-KYWXTRJJSA-L
InChIInChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-19(27)20(35-36(30,31)32)18(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/p-2/t14-,15+,16+,17+,18+,19+,20+,21-,23-,24+/m1/s1
SMILESC[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C24H32O11S/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-19(27)20(35-36(30,31)32)18(26)21(34-23)22(28)29/h3,5,10,14-21,23,25-27H,2,4,6-9H2,1H3,(H,28,29)(H,30,31,32)/t14-,15+,16+,17+,18+,19+,20+,21-,23-,24+/m1/s1 Image of MNXM1594068
SMILES (mnx)[CH3:1][C@:24]12[CH2:9][CH2:8][C@@H:14]3[c:13]4[cH:5][cH:3][c:12]([OH:25])[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:33][C@H:23]1[C@@H:19]([OH:27])[C@@H:20]([O:35][S:36]([OH:30])(=[O:31])=[O:32])[C@H:18]([OH:26])[C@H:21]([C:22]([OH:28])=[O:29])[O:34]1
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

vmhM:estrdl17glcursulf
vmhM:estrdl17glcursulf
vmhmetabolite:estrdl17glcursulf
vmhmetabolite:estrdl17glcursulf
IJATWYJZSVYJPL-KYWXTRJJSA-L 		Estradiol 17-O-glucuronide Sulfate
17-b-Estradiol 3-sulfate-17-(b-D-glucuronide)
17-b-Estradiol 3-sulfuric acid-17-(b-D-glucuronide)
17-b-Estradiol 3-sulphate-17-(b-D-glucuronide)
17-b-Estradiol 3-sulphuric acid-17-(b-D-glucuronide)
17-beta-Estradiol 3-sulfuric acid-17-(beta-D-glucuronide)
17-beta-Estradiol 3-sulphate-17-(beta-D-glucuronide)
17-beta-Estradiol 3-sulphuric acid-17-(beta-D-glucuronide)
17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)
17-beta-estradiol 3-sulfuric acid-17-(beta-D-glucuronide)
17-beta-estradiol 3-sulphate-17-(beta-D-glucuronide)
17-beta-estradiol 3-sulphuric acid-17-(beta-D-glucuronide)
17beta-Estradiol 3-sulfate-17-(beta-D-glucuronoside)
17beta-Estradiol 3-sulfate-17-(beta-delta-glucuronoside)
17beta-Estradiol 3-sulphate-17-(beta-D-glucuronoside)
17beta-Estradiol 3-sulphate-17-(beta-delta-glucuronoside)
Cell signaling agent
Cellular membrane
Cytoplasma
Digestion
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-D-glucuronide
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-D-glucuronoside
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-delta-glucuronide
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-delta-glucuronoside
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-D-glucuronide
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-D-glucuronoside
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-delta-glucuronide
Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-delta-glucuronoside
Estradiol 17b-glucuronide 3-sulfate
Estradiol 17b-glucuronide 3-sulfuric acid
Estradiol 17b-glucuronide 3-sulphate
Estradiol 17b-glucuronide 3-sulphuric acid
Estradiol 17beta-glucuronide 3-sulfate
Estradiol 17beta-glucuronide 3-sulfuric acid
Estradiol 17beta-glucuronide 3-sulphate
Estradiol 17beta-glucuronide 3-sulphuric acid
Extracellular region
Fauna
Kidneys
Lipid metabolic process
Liver tissue
Membrane integrity agent
Membrane stability agent
Signal transduction
Signaling agent
Signalling molecule
Surface-active agent

vmhM:M_estrdl17glcursulf 		secondary/obsolete/fantasy identifier