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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > glutaminochenodeoxycholic acid

Preferred term

glutaminochenodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H48N2O6

inchi

  • InChI=1S/C29H48N2O6/c1-16(4-9-25(35)31-22(27(36)37)7-8-24(30)34)19-5-6-20-26-21(11-13-29(19,20)3)28(2)12-10-18(32)14-17(28)15-23(26)33/h16-23,26,32-33H,4-15H2,1-3H3,(H2,30,34)(H,31,35)(H,36,37)/t16-,17+,18-,19-,20+,21+,22+,23-,26+,28+,29-/m1/s1

inchikey

  • WKNSSWRPDRZCAQ-BIJSRRLCSA-N

mass

  • 520.711

monoisotopicmass

  • 520.35124

smiles

  • C[C@H](CCC(=O)N[C@@H](CCC(N)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232197

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