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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 > 7-oxoasparaginolithocholic acid

Preferred term

7-oxoasparaginolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H43NO7

inchi

  • InChI=1S/C28H43NO7/c1-15(4-7-23(32)29-21(26(35)36)14-24(33)34)18-5-6-19-25-20(9-11-28(18,19)3)27(2)10-8-17(30)12-16(27)13-22(25)31/h15-21,25,30H,4-14H2,1-3H3,(H,29,32)(H,33,34)(H,35,36)/t15-,16+,17-,18-,19+,20+,21+,25+,27+,28-/m1/s1

inchikey

  • XOUBXLJFBVXIML-FTZIPJMNSA-N

mass

  • 505.652

monoisotopicmass

  • 505.30395

smiles

  • C[C@H](CCC(=O)N[C@@H](CC(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@@H](O)C[C@H]4CC3=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232233

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