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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 > n-((4r)-4-((3r,5s,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoyl)-n-methylglycine
... > 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 > n-((4r)-4-((3r,5s,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoyl)-n-methylglycine

Preferred term

n-((4r)-4-((3r,5s,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoyl)-n-methylglycine  

Type

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

Broader concept

charge

  • 0

formula

  • C27H45NO4

inchi

  • InChI=1S/C27H45NO4/c1-17(5-10-24(30)28(4)16-25(31)32)21-8-9-22-20-7-6-18-15-19(29)11-13-26(18,2)23(20)12-14-27(21,22)3/h17-23,29H,5-16H2,1-4H3,(H,31,32)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1

inchikey

  • PPDYNVKBDBQLEM-RMXYKXGFSA-N

mass

  • 447.660

monoisotopicmass

  • 447.33486

smiles

  • O[C@H]1C[C@@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCC(=O)N(CC(O)=O)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H]

subset

  • 2_STAR

synonym EXACT

  • 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methylamino]acetic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:181122

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