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Chemistry, part 1

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > glucosiduronic acid > steroid glucosiduronic acid > 5alpha-dihydrotestosterone 17-o-[beta-d-glucuronosyl-(1->2)-glucuronide]
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > steroid glucosiduronic acid > 5alpha-dihydrotestosterone 17-o-[beta-d-glucuronosyl-(1->2)-glucuronide]
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid glucosiduronic acid > 5alpha-dihydrotestosterone 17-o-[beta-d-glucuronosyl-(1->2)-glucuronide]
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-5alpha-steroid > 5alpha-dihydrotestosterone 17-o-[beta-d-glucuronosyl-(1->2)-glucuronide]

Preferred term

5alpha-dihydrotestosterone 17-o-[beta-d-glucuronosyl-(1->2)-glucuronide]  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O14

has_functional_parent

inchi

  • InChI=1S/C31H46O14/c1-30-9-7-13(32)11-12(30)3-4-14-15-5-6-17(31(15,2)10-8-16(14)30)42-29-25(21(36)20(35)24(44-29)27(40)41)45-28-22(37)18(33)19(34)23(43-28)26(38)39/h12,14-25,28-29,33-37H,3-11H2,1-2H3,(H,38,39)(H,40,41)/t12-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25+,28-,29+,30-,31-/m0/s1

inchikey

  • HCBFNYJWBTZVOD-ZLLOFXDPSA-N

is_conjugate_acid_of

mass

  • 642.690

monoisotopicmass

  • 642.28876

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(CC(C1)=O)[H])[H])(CC[C@@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(O)=O)O)O)O)[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • 3-oxo-5alpha-androstan-17beta-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid

synonym RELATED

  • (5alpha,17beta)-3-oxoandrostan-17-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
  • 5alpha-dihydrotestosterone 17-[beta-D-glucuronosyl-(1->2)-glucuronide]
  • dihydrotestosterone diglucuronide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137856

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