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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-oxophenylalaninolithocholic acid

Preferred term

7-oxophenylalaninolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C33H47NO5

inchi

  • InChI=1S/C33H47NO5/c1-20(9-12-29(37)34-27(31(38)39)17-21-7-5-4-6-8-21)24-10-11-25-30-26(14-16-33(24,25)3)32(2)15-13-23(35)18-22(32)19-28(30)36/h4-8,20,22-27,30,35H,9-19H2,1-3H3,(H,34,37)(H,38,39)/t20-,22+,23-,24-,25+,26+,27+,30+,32+,33-/m1/s1

inchikey

  • KPVGCBZZSWBUNW-UEVPOJTESA-N

mass

  • 537.741

monoisotopicmass

  • 537.34542

smiles

  • C[C@H](CCC(=O)N[C@@H](CC1=CC=CC=C1)C(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:232248

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