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glycochenodeoxycholate

MNXM732864 is deprecated and replaced by MNXM732862
PropertiesImage
MNX_IDMNXM732862 Image of MNXM732862
referencechebi:36252
formulaC26H42NO5
global charge-1
mol weight448.624
InChIKeyGHCZAUBVMUEKKP-GYPHWSFCSA-M
InChIInChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/p-1/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1
SMILESC[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,21-,24+,25+,26-/m1/s1 Image of MNXM732862
SMILES (mnx)[CH3:1][C@H:15]([CH2:4][CH2:7][C:22](=[N:27][CH2:14][C:23](=[O:31])[OH:32])[OH:30])[C@H:18]1[CH2:5][CH2:6][C@H:19]2[C@H:24]3[C@H:20]([CH2:9][CH2:11][C@:26]12[CH3:3])[C@@:25]1([CH3:2])[CH2:10][CH2:8][C@@H:17]([OH:28])[CH2:12][C@H:16]1[CH2:13][C@H:21]3[OH:29]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 16
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-159432
reactomeM:R-ALL-159432
reactome:R-ALL-192473
reactomeM:R-ALL-192473
reactome:R-ALL-193530
reactomeM:R-ALL-193530
CHEBI:36252
chebi:36252
GHCZAUBVMUEKKP-GYPHWSFCSA-M 		glycochenodeoxycholate
N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate
hmdb:HMDB0000637
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		Chenodeoxycholic acid glycine conjugate
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]acetic acid
Acid, glycochenodeoxycholic
Chenodeoxycholate glycine conjugate
Chenodeoxycholate, glycine
Chenodeoxycholic acid glycine conjugic acid
Chenodeoxycholylglycine
Chenodeoxyglycocholate
Chenodeoxyglycocholic acid
GCDCA
Glycine chenodeoxycholate
Glycine chenodeoxycholic acid
Glycochenodeoxycholate
Glycochenodeoxycholic acid
[(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]acetic acid

bigg.metabolite:dgchol
biggM:dgchol
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		Chenodeoxyglycocholate

seed.compound:cpd03243
seedM:cpd03243
GHCZAUBVMUEKKP-GYPHWSFCSA-M 		Chenodeoxyglycocholate
Glycochenodeoxycholate
Glycochenodeoxycholic acid
glycochenodeoxycholate
glycochenodeoxycholic acid
hmdb:HMDB0006898
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		Chenodeoxyglycocholic acid
2-({4-[(2S,5R,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]-1-hydroxypentylidene}amino)acetate
2-{4-[(2S,5R,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido}acetic acid
Chenodeoxyglycocholate
{4-[(2S,5R,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-14-yl]pentanamido}acetic acid

seed.compound:cpd03247
seedM:cpd03247
sabiork.compound:7936
sabiorkM:7936
GHCZAUBVMUEKKP-GYPHWSFCSA-M 		Glycochenodeoxycholate

kegg.compound:C05466
keggC:C05466
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		Glycochenodeoxycholate
Chenodeoxyglycocholate
Glycochenodeoxycholic acid

sabiork.compound:26645
sabiorkM:26645
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		Glycochenodeoxycholic acid

lipidmaps:LMST05030008
lipidmapsM:LMST05030008
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		Glycochenodeoxycholic acid
Chenodeoxycholic acid glycine conjugate
Chenoglycodeoxycholic acid
GCDCA
Gly
N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-glycine
O3
ST 24:1

SLM:000485695
slm:000485695
GHCZAUBVMUEKKP-GYPHWSFCSA-M 		glycochenodeoxycholate

metacyc.compound:GLYCOCHENODEOXYCHOLIC_ACID
metacycM:GLYCOCHENODEOXYCHOLIC_ACID
GHCZAUBVMUEKKP-GYPHWSFCSA-M 		glycochenodeoxycholate
glycochenodeoxycholic acid

CHEBI:36274
chebi:36274
GHCZAUBVMUEKKP-GYPHWSFCSA-N 		glycochenodeoxycholic acid
Chenodeoxyglycocholate
GCDCA
GLYCOCHENODEOXYCHOLIC ACID
Glycochenodeoxycholate
Glycochenodeoxycholic acid
N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine
[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid
chenodeoxycholylglycine
chenodeoxyglycocholic acid
glycine chenodeoxycholate

hmdb:HMDB0004013
hmdb:HMDB00637
hmdb:HMDB04013
hmdb:HMDB06898
chebi:3591
chebi:41520
chebi:5463
chebi:58664
chebi:59452
biggM:M_dgchol
keggC:M_C05466
seedM:M_cpd03243
seedM:M_cpd03247 		secondary/obsolete/fantasy identifier