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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 > phenylalaninoursodeoxycholic acid

Preferred term

phenylalaninoursodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C33H49NO5

inchi

  • InChI=1S/C33H49NO5/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/h4-8,20,22-28,30,35-36H,9-19H2,1-3H3,(H,34,37)(H,38,39)/t20-,22+,23-,24-,25+,26+,27+,28+,30+,32+,33-/m1/s1

inchikey

  • CEMZGPKUKMFNNF-UEHJRMEVSA-N

mass

  • 539.757

monoisotopicmass

  • 539.36107

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](O)C[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:232285

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