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Chemistry, part 1

Content language

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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 > chenodeoxycholylthreonine
... > 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 > chenodeoxycholylthreonine

Preferred term

chenodeoxycholylthreonine  

Type

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

Broader concept

charge

  • 0

formula

  • C28H47NO6

inchi

  • InChI=1S/C28H47NO6/c1-15(5-8-23(33)29-25(16(2)30)26(34)35)19-6-7-20-24-21(10-12-28(19,20)4)27(3)11-9-18(31)13-17(27)14-22(24)32/h15-22,24-25,30-32H,5-14H2,1-4H3,(H,29,33)(H,34,35)

inchikey

  • FDLBWFQZCBIUPV-UHFFFAOYSA-N

mass

  • 493.685

monoisotopicmass

  • 493.34034

smiles

  • OC1C2C3C(C(CC3)C(CCC(=O)NC(C(O)C)C(O)=O)C)(CCC2C4(C(C1)CC(O)CC4)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]-3-hydroxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231223

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