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Chemistry, part 1

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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 > lipid > steroid > cholanoid > bile acid conjugate > bile acid taurine conjugate > tauro-omega-muricholic acid

Preferred term

tauro-omega-muricholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C26H45NO7S

inchi

  • InChI=1S/C26H45NO7S/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34)/t15-,16-,17-,18+,19+,20+,22+,23-,24-,25-,26-/m1/s1

inchikey

  • XSOLDPYUICCHJX-SYCKBGHMSA-N

mass

  • 515.705

monoisotopicmass

  • 515.29167

smiles

  • [C@]12([C@]([C@]3([C@]([C@@H]([C@@H](CCC(NCCS(=O)(=O)O)=O)C)CC3)(C)CC1)[H])([C@H]([C@H](O)[C@]4([C@@]2(CC[C@H](C4)O)C)[H])O)[H])[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139137

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