skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > taurolithocholic acid sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfates > organic sulfate > steroid sulfate > taurolithocholic acid sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > taurolithocholic acid sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > organic sulfate > steroid sulfate > taurolithocholic acid sulfate
organooxygen compound > ester > sulfuric ester > steroid sulfate > taurolithocholic acid sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > taurolithocholic acid sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfuric acid derivative > sulfuric ester > steroid sulfate > taurolithocholic acid sulfate

Preferred term

taurolithocholic acid sulfate  

Type

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

Broader concept

alt_id

  • CHEBI:15200
  • CHEBI:1716
  • CHEBI:26858
  • CHEBI:9412

charge

  • 0

formula

  • C26H45NO8S2

has_functional_parent

has_role

inchi

  • InChI=1S/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)/t17-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

inchikey

  • HSNPMXROZIQAQD-GBURMNQMSA-N

is_conjugate_acid_of

mass

  • 563.76944

monoisotopicmass

  • 563.25866

smiles

  • [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)NCCS(O)(=O)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-[(24-oxo-3alpha-sulfooxy-5beta-cholan-24-yl)amino]ethanesulfonic acid

synonym RELATED

  • (3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate
  • 3alpha-Sulfatolithocholyltaurine
  • Slct-3-sulfate
  • Taurolithocholate 3-sulfate
  • Taurolithocholate sulfate
  • Taurolithocholic acid 3-sulfate
  • TLC-S

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:17864

Download this concept:

RDF/XML TURTLE JSON-LD