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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 > asparaginolithocholic acid

Preferred term

asparaginolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46N2O5

inchi

  • InChI=1S/C28H46N2O5/c1-16(4-9-25(33)30-23(26(34)35)15-24(29)32)20-7-8-21-19-6-5-17-14-18(31)10-12-27(17,2)22(19)11-13-28(20,21)3/h16-23,31H,4-15H2,1-3H3,(H2,29,32)(H,30,33)(H,34,35)/t16-,17-,18-,19+,20-,21+,22+,23+,27+,28-/m1/s1

inchikey

  • AJRMYQPBZONDNK-CNZWOIIDSA-N

mass

  • 490.685

monoisotopicmass

  • 490.34067

smiles

  • C[C@H](CCC(=O)N[C@@H](CC(N)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[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:232181

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