CHEBI:792 - 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid)
ChEBI ID CHEBI:792
ChEBI ASCII Name 17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid)
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H31O11S
Net Charge 0
Average Mass 528.571
Monoisotopic Mass 528.16653
InChI InChI=1S/C24H32O11S/c1-24-9-8-14-13-5-3-12(35-36(30,31)32)10-11(13)2-4-15(14)16(24)6-7-17(24)33-23-20(27)18(25)19(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
InChIKey VRMSCBRLZUCJBX-QXYWQCSFSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(O)(=O)=O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
ChEBI Ontology
Outgoing 17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) has functional parent 17β-estradiol (CHEBI:16469)
17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) is a steroid glucosiduronic acid (CHEBI:26763)
17β-estradiol 3-sulfate 17-(β-D-glucosiduronic acid) (CHEBI:792) is a steroid sulfate (CHEBI:16158)
Synonyms Sources
17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide) KEGG COMPOUND
Estradiol 17beta-glucuronide 3-sulfate KEGG COMPOUND
Manual Xrefs Databases
C11289 KEGG COMPOUND
HMDB0010358 HMDB
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Last Modified
28 July 2014