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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-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-glycine
... > 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-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-glycine

Preferred term

n-[(3a,5b,7a,12a)-3,7-dihydroxy-24-oxo-12-(sulfooxy)cholan-24-yl]-glycine  

Type

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

Broader concept

charge

  • 0

formula

  • C26H43NO9S

inchi

  • InChI=1S/C26H43NO9S/c1-14(4-7-22(30)27-13-23(31)32)17-5-6-18-24-19(12-21(26(17,18)3)36-37(33,34)35)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-29H,4-13H2,1-3H3,(H,27,30)(H,31,32)(H,33,34,35)/t14-,15+,16-,17-,18?,19?,20?,21+,24?,25+,26-/m1/s1

inchikey

  • JZLKXIMBAHDSBJ-LLNTYHMYSA-N

mass

  • 545.690

monoisotopicmass

  • 545.26585

smiles

  • S(O[C@@H]1[C@]2(C(C3C([C@@]4([C@](CC3O)(C[C@H](O)CC4)[H])C)C1)CC[C@@]2([C@@H](CCC(=O)NCC(O)=O)C)[H])C)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193296

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