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Chemistry, part 1

Content language

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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
... > 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
... > 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
... > 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
organooxygen compound > ester > sulfuric ester > steroid sulfate > 17beta-estradiol 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 > 17beta-estradiol 3-sulfate
... > 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

Preferred term

17beta-estradiol 3-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C18H24O5S

has_functional_parent

has_role

inchi

  • InChI=1S/C18H24O5S/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/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,17+,18+/m1/s1

inchikey

  • QZIGLSSUDXBTLJ-ZBRFXRBCSA-N

is_conjugate_acid_of

mass

  • 352.447

monoisotopicmass

  • 352.13445

smiles

  • C1=C2C(CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])=CC(=C1)OS(O)(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 17beta-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate

synonym RELATED

  • (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl hydrogen sulfate
  • 17beta-hydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate
  • Estradiol-17beta 3-sulfate
  • estradiol-3-sulfate
  • estradiol 3-sulphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4866

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