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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 > lysinocholic acid dimer

Preferred term

lysinocholic acid dimer  

Type

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

Broader concept

charge

  • 0

formula

  • C54H89NO11

inchi

  • InChI=1S/C54H89NO11/c1-29(35-12-14-37-48-39(27-44(60)53(35,37)5)51(3)20-18-33(56)23-31(51)25-41(48)58)10-16-46(62)55-22-8-7-9-43(50(64)65)66-47(63)17-11-30(2)36-13-15-38-49-40(28-45(61)54(36,38)6)52(4)21-19-34(57)24-32(52)26-42(49)59/h29-45,48-49,56-61H,7-28H2,1-6H3,(H,55,62)(H,64,65)/t29-,30-,31+,32+,33-,34-,35-,36-,37+,38+,39+,40+,41-,42-,43+,44+,45+,48+,49+,51+,52+,53-,54-/m1/s1

inchikey

  • RTMABQRAXDMMGL-DTZJROAFSA-N

mass

  • 928.302

monoisotopicmass

  • 927.64356

smiles

  • C[C@H](CCC(=O)NCCCC[C@H](OC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)C(O)=O)[C@H]5CC[C@H]6[C@@H]7[C@H](O)C[C@@H]8C[C@H](O)CC[C@]8(C)[C@H]7C[C@H](O)[C@]56C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232267

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