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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 > 17-beta-estradiol-3,17-beta-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > 17-beta-estradiol-3,17-beta-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 > 17-beta-estradiol-3,17-beta-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > 17-beta-estradiol-3,17-beta-sulfate
organooxygen compound > ester > sulfuric ester > steroid sulfate > 17-beta-estradiol-3,17-beta-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 > 17-beta-estradiol-3,17-beta-sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > 17-beta-estradiol-3,17-beta-sulfate

Preferred term

17-beta-estradiol-3,17-beta-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C18H24O8S2

inchi

  • InChI=1S/C18H24O8S2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24)/t14-,15-,16+,17+,18+/m1/s1

inchikey

  • VPLAJGAMHNQZIY-ZBRFXRBCSA-N

mass

  • 432.500

monoisotopicmass

  • 432.09126

smiles

  • S(O[C@@H]1[C@@]2([C@]([C@]3([C@](CC2)(C4=C(CC3)C=C(OS(O)(=O)=O)C=C4)[H])[H])(CC1)[H])C)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [(8R,9S,13S,14S,17S)-13-methyl-3-sulooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184771

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