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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 > threoninolithocholic acid

Preferred term

threoninolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H47NO5

inchi

  • InChI=1S/C28H47NO5/c1-16(5-10-24(32)29-25(17(2)30)26(33)34)21-8-9-22-20-7-6-18-15-19(31)11-13-27(18,3)23(20)12-14-28(21,22)4/h16-23,25,30-31H,5-15H2,1-4H3,(H,29,32)(H,33,34)/t16-,17-,18-,19-,20+,21-,22+,23+,25+,27+,28-/m1/s1

inchikey

  • MHJQSAPLKWHUOJ-CRCBDNHOSA-N

mass

  • 477.686

monoisotopicmass

  • 477.34542

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232182

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