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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > carbohydrate acid derivative anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > carboxylic acid anion > steroid acid anion > steroid glucosiduronic acid anion > etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)

Preferred term

etiocholan-3alpha-ol-17-one 3-o-(3-sulfo-beta-d-glucuronide)(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C25H36O11S

inchi

  • InChI=1S/C25H38O11S/c1-24-9-7-13(34-23-19(28)20(36-37(31,32)33)18(27)21(35-23)22(29)30)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-28H,3-11H2,1-2H3,(H,29,30)(H,31,32,33)/p-2/t12-,13-,14+,15+,16+,18+,19-,20+,21+,23-,24+,25+/m1/s1

inchikey

  • DQNZSFSAXYWEPI-OCDJPEPRSA-L

mass

  • 544.610

monoisotopicmass

  • 544.19893

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@@]2(C[C@@H](C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)OS([O-])(=O)=O)O)C([O-])=O)[H])[H])(CCC4=O)[H])C)[H])C

subset

  • 2_STAR

synonym RELATED

  • 3alpha-hydroxyetiocholan-17-one 3-O-(3-sulfo-beta-D-glucuronate)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178198

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