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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > chalcogen oxoanion > sulfur oxoanion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoanion > organosulfate oxoanion > steroid sulfate oxoanion > taurocholate 7-sulfate(2-)

Preferred term

taurocholate 7-sulfate(2-)  

Type

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

Broader concept

charge

  • -2

formula

  • C26H43NO10S2

has_functional_parent

inchi

  • InChI=1S/C26H45NO10S2/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)37-39(34,35)36/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/p-2/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

inchikey

  • UFNAFAYTUSPZIR-HZAMXZRMSA-L

mass

  • 593.750

monoisotopicmass

  • 593.23394

smiles

  • C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])OS([O-])(=O)=O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])C)O)[H])C

subset

  • 2_STAR

synonym RELATED

  • taurocholate 7-sulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:172394

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