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Chemistry, part 1

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Concept information

chemical entity > molecular entity > isotopically modified compound > deuterated compound > taurodeoxycholic acid-d4
... > 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 > taurodeoxycholic acid > taurodeoxycholic acid-d4

Preferred term

taurodeoxycholic acid-d4  

Type

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

Broader concept

charge

  • 0

formula

  • C26H41D4NO6S

inchi

  • InChI=1S/C26H45NO6S/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1/i10D2,14D2

inchikey

  • AWDRATDZQPNJFN-QFNLNYLLSA-N

mass

  • 503.730

monoisotopicmass

  • 503.32187

smiles

  • S(O)(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])C)(C[C@@H]2O)[H])[H])(CC1)[H])C)[H])C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192787

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