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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 > estrone 3-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > estrone 3-sulfate
... > 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 > estrone 3-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > estrone 3-sulfate
organooxygen compound > ester > sulfuric ester > steroid sulfate > estrone 3-sulfate
... > 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 > estrone 3-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > estrone 3-sulfate

Preferred term

estrone 3-sulfate  

Type

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

Broader concept

alt_id

  • CHEBI:14221
  • CHEBI:23972
  • CHEBI:4871

charge

  • 0

formula

  • C18H22O5S

has_functional_parent

has_parent_hydride

has_role

inchi

  • InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1

inchikey

  • JKKFKPJIXZFSSB-CBZIJGRNSA-N

is_conjugate_acid_of

mass

  • 350.42900

monoisotopicmass

  • 350.11879

smiles

  • [H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS(O)(=O)=O)ccc21

subset

  • 3_STAR

synonym EXACT

  • 17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate
  • Estrone 3-sulfate

synonym RELATED

  • 3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate
  • estrone hydrogen sulfate
  • estrone sulfate
  • estrone sulphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:17474

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