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Concept information

Preferred term

Lithocholate 3-O- (Beta-d-glucuronide) (2-)  

Type

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

charge

  • -2

formula

  • C30H46O9

inchi

  • InChI=1S/C30H48O9/c1-15(4-9-22(31)32)19-7-8-20-18-6-5-16-14-17(10-12-29(16,2)21(18)11-13-30(19,20)3)38-28-25(35)23(33)24(34)26(39-28)27(36)37/h15-21,23-26,28,33-35H,4-14H2,1-3H3,(H,31,32)(H,36,37)/p-2/t15-,16-,17-,18+,19-,20+,21+,23+,24+,25-,26+,28-,29+,30-/m1/s1

inchikey

  • GIQXKAXWRLHLDD-VYACWCJYSA-L

mass

  • 550.682

monoisotopicmass

  • 550.31528

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)O)O)C([O-])=O)[H])[H])(CC[C@@]4([C@@H](CCC([O-])=O)C)[H])[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • 3alpha-(beta-D-glucopyranuronosyloxy)-5beta-cholan-24-oate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136965

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