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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 > phenylalaninolithocholic acid

Preferred term

phenylalaninolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C33H49NO4

inchi

  • InChI=1S/C33H49NO4/c1-21(9-14-30(36)34-29(31(37)38)19-22-7-5-4-6-8-22)26-12-13-27-25-11-10-23-20-24(35)15-17-32(23,2)28(25)16-18-33(26,27)3/h4-8,21,23-29,35H,9-20H2,1-3H3,(H,34,36)(H,37,38)/t21-,23-,24-,25+,26-,27+,28+,29+,32+,33-/m1/s1

inchikey

  • GGPBIPRBYWGMTR-LTVMZZGSSA-N

mass

  • 523.758

monoisotopicmass

  • 523.36616

smiles

  • C[C@H](CCC(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232192

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