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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 > putative chenodeoxycholic acid phenylalanine conjugate
... > 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 > putative chenodeoxycholic acid phenylalanine conjugate

Preferred term

putative chenodeoxycholic acid phenylalanine conjugate  

Type

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

Broader concept

charge

  • 0

formula

  • C33H49NO5

inchi

  • InChI=1S/C33H49NO5/c1-20(9-12-29(37)34-27(31(38)39)17-21-7-5-4-6-8-21)24-10-11-25-30-26(14-16-33(24,25)3)32(2)15-13-23(35)18-22(32)19-28(30)36/h4-8,20,22-28,30,35-36H,9-19H2,1-3H3,(H,34,37)(H,38,39)

inchikey

  • CEMZGPKUKMFNNF-UHFFFAOYSA-N

mass

  • 539.757

monoisotopicmass

  • 539.36107

smiles

  • OC1C2C3C(C(CC3)C(CCC(=O)NC(CC4=CC=CC=C4)C(O)=O)C)(CCC2C5(C(C1)CC(O)CC5)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-phenylpropanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181108

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