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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proteinogenic amino acid derivative > glycine derivative > bile acid glycine conjugate > 7-oxoglycodeoxycholic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholanoid > bile acid conjugate > bile acid glycine conjugate > 7-oxoglycodeoxycholic acid

Preferred term

7-oxoglycodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H41NO6

has_functional_parent

inchi

  • InChI=1S/C26H41NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-19,21,24,28,30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,21+,24+,25+,26-/m1/s1

inchikey

  • LSIUQFINAGKPOI-OOHCVHQXSA-N

is_conjugate_acid_of

mass

  • 463.608

monoisotopicmass

  • 463.29339

smiles

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

subset

  • 3_STAR

synonym EXACT

  • N-[(3alpha,5beta,12alpha)-3,12-dihydroxy-7,24-dioxocholan-24-yl]glycine

synonym RELATED

  • {[(3alpha,5beta,12alpha)-3,12-dihydroxy-7,24-dioxocholan-24-yl]amino}acetic acid
  • 7-ketodeoxycholic acid-glycine conjugate
  • 7-ketoglycodeoxycholic acid
  • 7-oxodeoxycholic acid-glycine conjugate
  • N-(3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oyl)glycine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:138394

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