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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 > tryptophanochenodeoxycholic acid

Preferred term

tryptophanochenodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C35H50N2O5

inchi

  • InChI=1S/C35H50N2O5/c1-20(8-11-31(40)37-29(33(41)42)16-21-19-36-28-7-5-4-6-24(21)28)25-9-10-26-32-27(13-15-35(25,26)3)34(2)14-12-23(38)17-22(34)18-30(32)39/h4-7,19-20,22-23,25-27,29-30,32,36,38-39H,8-18H2,1-3H3,(H,37,40)(H,41,42)/t20-,22+,23-,25-,26+,27+,29+,30-,32+,34+,35-/m1/s1

inchikey

  • CYHFCBVFHBCQHF-KKWCAZEVSA-N

mass

  • 578.794

monoisotopicmass

  • 578.37197

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]5CC[C@]34C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232208

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