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taurochenodeoxycholate

Properties

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Occurences in reactions

MNX_ID

MNXM731821

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	3

formula

C₂₆H₄₄NO₆S

charge

-1

mass

498.28948

reference

chebi:9407

InChIKey

BHTRKEVKTKCXOH-BJLOMENOSA-M

InChI

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

SMILES

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-192415 reactomeM:R-ALL-192415 CHEBI:9407 chebi:9407	taurochenodeoxycholate 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate Taurochenodeoxycholate taurochenodeoxycholate anion taurochenodeoxycholate(1-)
sabiork.compound:7935 sabiorkM:7935	Taurochenodeoxycholate Chenodeoxycholoyltaurine
seed.compound:cpd03246 seedM:cpd03246	Taurochenodeoxycholate Chenodeoxycholoyltaurine N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)taurine Taurochenodeoxycholic acid chenodeoxycholoyltaurine taurochenodeoxycholate
kegg.compound:C05465 keggC:C05465	Taurochenodeoxycholate Chenodeoxycholoyltaurine Taurochenodeoxycholic acid
lipidmaps:LMST05040005 lipidmapsM:LMST05040005	Taurochenodeoxycholic acid 2-[(3a,7a-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-taurine O4 ST 24:1 T Taurochenodeoxycholate
hmdb:HMDB0000951	Taurochenodesoxycholic acid 12-Deoxycholyltaurine 12-Desoxycholyltaurine 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethanesulfonic acid 3a,7a-Dihydroxy-N-(2-sulfoethyl)-5b-cholan-24-amide Acid, taurochenodeoxycholic Chenodeoxycholate, taurine Chenodeoxycholoyltaurine Chenodeoxycholyltaurine Chenyltaurine N-(3a,7a-Dihydroxy-5b-cholan-24-oyl)-taurine Taurine chenodeoxycholate Taurine chenodeoxycholic acid Taurochenodeoxycholate Taurochenodeoxycholic acid Taurochenodesoxycholate
SLM:000485376 slm:000485376	taurochenodeoxycholate
metacyc.compound:CPD-7283 metacycM:CPD-7283	taurochenodeoxycholate N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)taurine chenodeoxycholoyltaurine
reactome:R-ALL-159422 reactomeM:R-ALL-159422 reactome:R-ALL-193484 reactomeM:R-ALL-193484 CHEBI:16525 chebi:16525	taurochenodeoxycholic acid 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid Chenodeoxycholoyltaurine Taurochenodeoxycholic acid taurine chenodeoxycholate taurochenodeoxycholate
hmdb:HMDB00951 chebi:13961 chebi:23096 chebi:3590 chebi:46136 chebi:57802 keggC:M_C05465 seedM:M_cpd03246	secondary/obsolete/fantasy identifier