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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
organooxygen compound > ester > sulfuric ester > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > steroid glucosiduronic acid > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > steroid glucosiduronic acid > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid glucosiduronic acid > 17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)

Preferred term

17beta-estradiol 3-sulfate 17-(beta-d-glucosiduronic acid)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C24H31O11S

has_functional_parent

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

mass

  • 528.571

monoisotopicmass

  • 528.16653

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

subset

  • 2_STAR

synonym RELATED

  • 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
  • Estradiol 17beta-glucuronide 3-sulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:792

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