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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 > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate
... > 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 > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate
... > organooxygen compound > ester > sulfuric ester > steroid sulfate > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate
... > 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 > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > androstane sulfate > 5alpha-androstane-3beta,17beta-diol disulfate

Preferred term

5alpha-androstane-3beta,17beta-diol disulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C19H32O8S2

has_functional_parent

inchi

  • InChI=1S/C19H32O8S2/c1-18-9-7-13(26-28(20,21)22)11-12(18)3-4-14-15-5-6-17(27-29(23,24)25)19(15,2)10-8-16(14)18/h12-17H,3-11H2,1-2H3,(H,20,21,22)(H,23,24,25)/t12-,13-,14-,15-,16-,17-,18-,19-/m0/s1

inchikey

  • JHFAETDERBWUOO-YSZCXEEOSA-N

is_conjugate_acid_of

mass

  • 452.585

monoisotopicmass

  • 452.15386

smiles

  • C1[C@@]2([C@@]([C@@]3([C@](C[C@@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])OS(O)(=O)=O)C)[H])[H]

subset

  • 3_STAR

synonym EXACT

  • 5alpha-androstane-3beta,17beta-diyl bis(hydrogen sulfate)

synonym RELATED

  • (3beta,5alpha,17beta)-androstane-3,17-diyl bis(hydrogen sulfate)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:133115

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