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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 > 17alpha-(n-acetyl-alpha-d-glucosaminyl)estradiol 3-glucuronoside
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > steroid glucosiduronic acid > 17alpha-(n-acetyl-alpha-d-glucosaminyl)estradiol 3-glucuronoside
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid glucosiduronic acid > 17alpha-(n-acetyl-alpha-d-glucosaminyl)estradiol 3-glucuronoside

Preferred term

17alpha-(n-acetyl-alpha-d-glucosaminyl)estradiol 3-glucuronoside  

Type

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

Broader concept

charge

  • 0

formula

  • C32H45NO13

has_functional_parent

inchi

  • InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26+,27-,28+,30-,31-,32+/m1/s1

inchikey

  • BHYDXVJSMVVTCR-JHZMAZKOSA-N

is_conjugate_acid_of

mass

  • 651.69860

monoisotopicmass

  • 651.28909

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (17alpha)-17-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]estra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:73201

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