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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-oxoprolinolithocholic acid

Preferred term

7-oxoprolinolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C29H45NO5

inchi

  • InChI=1S/C29H45NO5/c1-17(6-9-25(33)30-14-4-5-23(30)27(34)35)20-7-8-21-26-22(11-13-29(20,21)3)28(2)12-10-19(31)15-18(28)16-24(26)32/h17-23,26,31H,4-16H2,1-3H3,(H,34,35)/t17-,18+,19-,20-,21+,22+,23+,26+,28+,29-/m1/s1

inchikey

  • KGODYQZOSPGQFI-GSHNJGPQSA-N

mass

  • 487.681

monoisotopicmass

  • 487.32977

smiles

  • C[C@H](CCC(=O)N1CCC[C@H]1C(O)=O)[C@H]2CC[C@H]3[C@H]4[C@H](CC[C@]23C)[C@@]5(C)CC[C@@H](O)C[C@H]5CC4=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232242

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