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CHEBI:139138 - taurohyodeoxycholic acid

ChEBI IDCHEBI:139138
ChEBI Nametaurohyodeoxycholic acid
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Last Modified22 November 2017
Submittermwilliams
DownloadsMolfile
FormulaC26H45NO6S
Net Charge0
Average Mass499.714
Monoisotopic Mass499.29676
SMILES[H]N(CCS(=O)(=O)O)C(=O)CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C26H45NO6S/c1-16(4-7-24(30)27-12-13-34(31,32)33)19-5-6-20-18-15-23(29)22-14-17(28)8-10-26(22,3)21(18)9-11-25(19,20)2/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
InChIKeyHMXPOCDLAFAFNT-BHYUGXBJSA-N
ChEBI Ontology
Outgoing Relation(s)
taurohyodeoxycholic acid (CHEBI:139138) is a bile acid taurine conjugate (CHEBI:23219)
taurohyodeoxycholic acid (CHEBI:139138) is conjugate acid of taurohyodeoxycholate(1−) (CHEBI:191407)
Incoming Relation(s)
taurohyodeoxycholate(1−) (CHEBI:191407) is conjugate base of taurohyodeoxycholic acid (CHEBI:139138)
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106373ChemSpider