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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > 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 > monocarboxylic acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > carboxylic acid anion > steroid acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > anion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > carboxylic acid anion > steroid acid anion > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)
... > 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 > bile acid anion > chenodeoxycholate-3-o-beta-d-glucoside(1-)

Preferred term

chenodeoxycholate-3-o-beta-d-glucoside(1-)  

Type

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

Broader concept

charge

  • -1

formula

  • C30H49O9

has_functional_parent

inchi

  • InChI=1S/C30H50O9/c1-15(4-7-23(33)34)18-5-6-19-24-20(9-11-30(18,19)3)29(2)10-8-17(12-16(29)13-21(24)32)38-28-27(37)26(36)25(35)22(14-31)39-28/h15-22,24-28,31-32,35-37H,4-14H2,1-3H3,(H,33,34)/p-1/t15-,16+,17-,18-,19+,20+,21-,22-,24+,25-,26+,27-,28-,29+,30-/m1/s1

inchikey

  • QRLIJDGVRXVHQD-UVMPBBQUSA-M

is_conjugate_base_of

mass

  • 553.706

monoisotopicmass

  • 553.33821

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])O)[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • (3alpha,5beta,7alpha)-3-(beta-D-glucopyranosyloxy)-7-hydroxycholan-24-oate

synonym RELATED

  • 3alpha,7alpha-dihydroxy-5beta-cholan-24-oate 3-O-(beta-D-glucoside)(1-)
  • 3beta-D-glucosido-chenodeoxycholate(1-)
  • beta-D-glucosyl-(1->3)-O-chenodeoxycholate
  • CDCA 3-glucoside(1-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:142610

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