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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organosulfonate oxoanion > 7-oxotaurodeoxycholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > organosulfonate oxoanion > 7-oxotaurodeoxycholate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organosulfonate oxoanion > 7-oxotaurodeoxycholate
... > chemical entity > molecular entity > ion > anion > organic anion > cholanic acid conjugate anion > 7-oxotaurodeoxycholate
... > chemical entity > molecular entity > ion > organic ion > organic anion > cholanic acid conjugate anion > 7-oxotaurodeoxycholate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > cholanic acid conjugate anion > 7-oxotaurodeoxycholate

Preferred term

7-oxotaurodeoxycholate  

Type

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

Broader concept

charge

  • -1

formula

  • C26H42NO7S

inchi

  • InChI=1S/C26H43NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-20,22,24,28,30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/p-1/t15-,16+,17-,18-,19+,20+,22+,24+,25+,26-/m1/s1

inchikey

  • VXWYZDSFMHCNQA-UUGCEIAESA-M

is_conjugate_base_of

mass

  • 512.681

monoisotopicmass

  • 512.26875

smiles

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

subset

  • 3_STAR

synonym EXACT

  • 2[(3alpha,12alpha-dihydroxy-7,24-dioxo-5beta-cholan-24-yl)amino]ethane-1-sulfonate

synonym RELATED

  • 2-{[(3alpha,5beta,12alpha)-3,12-dihydroxy-7,24-dioxocholan-24-yl]amino}ethane-1-sulfonate
  • 7-ketotaurodeoxycholate
  • 7-oxo-taurodeoxycholate
  • N-(3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oyl)taurine(1-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137820

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