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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 > asparaginochenodeoxycholic acid

Preferred term

asparaginochenodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46N2O6

inchi

  • InChI=1S/C28H46N2O6/c1-15(4-7-24(34)30-21(26(35)36)14-23(29)33)18-5-6-19-25-20(9-11-28(18,19)3)27(2)10-8-17(31)12-16(27)13-22(25)32/h15-22,25,31-32H,4-14H2,1-3H3,(H2,29,33)(H,30,34)(H,35,36)/t15-,16+,17-,18-,19+,20+,21+,22-,25+,27+,28-/m1/s1

inchikey

  • CHFOVLMTXSAFKC-OJDXPLIOSA-N

mass

  • 506.684

monoisotopicmass

  • 506.33559

smiles

  • C[C@H](CCC(=O)N[C@@H](CC(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:232196

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