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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 > 7-oxotyraminolithocholic acid

Preferred term

7-oxotyraminolithocholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C34H48N2O3

inchi

  • InChI=1S/C34H48N2O3/c1-21(8-11-31(39)35-17-14-22-20-36-29-7-5-4-6-25(22)29)26-9-10-27-32-28(13-16-34(26,27)3)33(2)15-12-24(37)18-23(33)19-30(32)38/h4-7,20-21,23-24,26-28,32,36-37H,8-19H2,1-3H3,(H,35,39)/t21-,23+,24-,26-,27+,28+,32+,33+,34-/m1/s1

inchikey

  • PICUIBGJEPCOIT-NRFQOXCRSA-N

mass

  • 532.769

monoisotopicmass

  • 532.36649

smiles

  • C[C@H](CCC(=O)NCCC1=CNC2=CC=CC=C12)[C@H]3CC[C@H]4[C@H]5[C@H](CC[C@]34C)[C@@]6(C)CC[C@@H](O)C[C@H]6CC5=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232249

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