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Chemistry, part 3

Content language

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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 > tryptophanocholic acid

Preferred term

tryptophanocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C35H50N2O6

inchi

  • InChI=1S/C35H50N2O6/c1-19(8-11-31(41)37-28(33(42)43)14-20-18-36-27-7-5-4-6-23(20)27)24-9-10-25-32-26(17-30(40)35(24,25)3)34(2)13-12-22(38)15-21(34)16-29(32)39/h4-7,18-19,21-22,24-26,28-30,32,36,38-40H,8-17H2,1-3H3,(H,37,41)(H,42,43)/t19-,21+,22-,24-,25+,26+,28+,29-,30+,32+,34+,35-/m1/s1

inchikey

  • UXWZMQPNSYWAHX-DMELVVMMSA-N

mass

  • 594.793

monoisotopicmass

  • 594.36689

smiles

  • C[C@H](CCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O)[C@H]3CC[C@H]4[C@@H]5[C@H](O)C[C@@H]6C[C@H](O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]34C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232263

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