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Concept information

Preferred term

اسید chenodeoxycholic 24-- (بتا-دی- گلوکورونید) (1-)  

Type

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

charge

  • -1

formula

  • C30H47O10

inchi

  • InChI=1S/C30H48O10/c1-14(4-7-21(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38)17-5-6-18-22-19(9-11-30(17,18)3)29(2)10-8-16(31)12-15(29)13-20(22)32/h14-20,22-26,28,31-32,34-36H,4-13H2,1-3H3,(H,37,38)/p-1/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24+,25-,26+,28-,29+,30-/m1/s1

inchikey

  • ZTJBLIAPAIPNJE-BWGRGVIUSA-M

mass

  • 567.689

monoisotopicmass

  • 567.31747

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 1-O-(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136899

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