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Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > chenodeoxycholic acid 3-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > chenodeoxycholic acid 3-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > chenodeoxycholic acid 3-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > chenodeoxycholic acid 3-sulfate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > chenodeoxycholic acid 3-sulfate

Preferred term

chenodeoxycholic acid 3-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O7S

inchi

  • InChI=1S/C24H40O7S/c1-14(4-7-21(26)27)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(31-32(28,29)30)12-15(23)13-20(22)25/h14-20,22,25H,4-13H2,1-3H3,(H,26,27)(H,28,29,30)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1

inchikey

  • WHMOBEGYTDWMIG-BSWAIDMHSA-N

mass

  • 472.637

monoisotopicmass

  • 472.24947

smiles

  • [C@H]1(CC[C@@]2([C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C[C@@]2(C1)[H])O)[H])[H])[C@@H](CCC(=O)O)C)C)[H])C)OS(=O)(=O)O

subset

  • 2_STAR

synonym RELATED

  • 3-Sulfochenodeoxycholate
  • 3-Sulfochenodeoxycholic acid
  • (4R)-4-[(1S,2S,5R,7R,9R,10R,11S,14R,15R)-9-hydroxy-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
  • Chenodeoxycholic acid 3a-sulfate
  • Chenodeoxycholic acid 3a-sulphate
  • Chenodeoxycholic acid 3-sulphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89060

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