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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 > histidinochenodeoxycholic acid

Preferred term

histidinochenodeoxycholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C30H47N3O5

inchi

  • InChI=1S/C30H47N3O5/c1-17(4-7-26(36)33-24(28(37)38)14-19-15-31-16-32-19)21-5-6-22-27-23(9-11-30(21,22)3)29(2)10-8-20(34)12-18(29)13-25(27)35/h15-18,20-25,27,34-35H,4-14H2,1-3H3,(H,31,32)(H,33,36)(H,37,38)/t17-,18+,20-,21-,22+,23+,24+,25-,27+,29+,30-/m1/s1

inchikey

  • XTVWUFJAQMCVQZ-VVQFJYCUSA-N

mass

  • 529.722

monoisotopicmass

  • 529.35157

smiles

  • C[C@H](CCC(=O)N[C@@H](CC1=CNC=N1)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:232194

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