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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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 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 > 5beta-pregnane 3alpha,20alpha-diol 3-o-(3-sulfo-beta-d-glucuronide)(2-)

Preferred term

5beta-pregnane 3alpha,20alpha-diol 3-o-(3-sulfo-beta-d-glucuronide)(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C27H42O11S

inchi

  • InChI=1S/C27H44O11S/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)36-25-21(30)22(38-39(33,34)35)20(29)23(37-25)24(31)32/h13-23,25,28-30H,4-12H2,1-3H3,(H,31,32)(H,33,34,35)/p-2/t13-,14+,15+,16-,17+,18-,19-,20-,21+,22-,23-,25+,26-,27+/m0/s1

inchikey

  • DZRVFQXQIDBRQP-GYDHMEJXSA-L

mass

  • 574.680

monoisotopicmass

  • 574.24588

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])(CC[C@]4([H])[C@@H](O)C)[H])C)[H])C

subset

  • 2_STAR

synonym RELATED

  • 3alpha,20alpha-dihydroxy-5beta-pregnane 3-O-(3-sulfo-beta-D-glucuronate)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178103

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