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glycolithocholate

MNXM736495 is deprecated and replaced by MNXM736494
PropertiesImage
MNX_IDMNXM736494 Image of MNXM736494
referencechebi:60008
formulaC26H42NO4
global charge-1
mol weight432.625
InChIKeyXBSQTYHEGZTYJE-OETIFKLTSA-M
InChIInChI=1S/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/p-1/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1
SMILESC[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C26H43NO4/c1-16(4-9-23(29)27-15-24(30)31)20-7-8-21-19-6-5-17-14-18(28)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22,28H,4-15H2,1-3H3,(H,27,29)(H,30,31)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1 Image of MNXM736494
SMILES (mnx)[CH3:1][C@H:16]([CH2:4][CH2:9][C:23](=[N:27][CH2:15][C:24](=[O:30])[OH:31])[OH:29])[C@H:20]1[CH2:7][CH2:8][C@H:21]2[C@@H:19]3[CH2:6][CH2:5][C@@H:17]4[CH2:14][C@H:18]([OH:28])[CH2:10][CH2:12][C@:25]4([CH3:2])[C@H:22]3[CH2:11][CH2:13][C@:26]12[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 11
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60008
chebi:60008
XBSQTYHEGZTYJE-OETIFKLTSA-M 		glycolithocholate
N-(3alpha-hydroxy-5beta-cholan-24-oyl)glycinate

bigg.metabolite:HC02193
biggM:HC02193
sabiork.compound:23309
sabiorkM:23309
XBSQTYHEGZTYJE-OETIFKLTSA-M
XBSQTYHEGZTYJE-OETIFKLTSA-N 		Glycolithocholate

kegg.compound:C15557
keggC:C15557
XBSQTYHEGZTYJE-OETIFKLTSA-N 		Glycolithocholate
Glycolithocholic acid

seed.compound:cpd11226
seedM:cpd11226
XBSQTYHEGZTYJE-OETIFKLTSA-M 		Glycolithocholate
Glycolithocholic acid
glycolithocholate

lipidmaps:LMST05030009
lipidmapsM:LMST05030009
XBSQTYHEGZTYJE-OETIFKLTSA-N 		Glycolithocholic Acid
GLCA
Gly
Lithocholic acid glycine conjugate
Lithocholylglycine
N-[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]-glycine
O2
ST 24:1
hmdb:HMDB0000698
XBSQTYHEGZTYJE-OETIFKLTSA-N 		Lithocholic acid glycine conjugate
2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid
3a-Hydroxy-5b-cholanic acid glycine ester
3a-Hydroxy-5b-cholanoylglycine
3a-Hydroxy-N-(carboxymethyl)-5b-cholan-24-amide
3alpha-Hydroxy-5beta-cholan-24-Oate
3alpha-Hydroxy-5beta-cholan-24-Oic acid
3alpha-Hydroxy-5beta-cholan-24-Oic acid N-(carboxymethyl)amide
3alpha-Hydroxy-5beta-cholanoylglycine 3-sulfate
3alpha-Hydroxy-5beta-cholanoylglycine 3-sulphate
Glycolithocholate
Glycolithocholic acid
Glycolithocholic acid 3-sulfate
Glycolithocholic acid 3-sulphate
Glycolithocholic acid 3alpha-sulfate
Glycolithocholic acid 3alpha-sulphate
Glycolithocholic acid sulfate
Glycolithocholic acid sulphate
Glycolithocholic acid, monosodium salt
Lithocholate glycine conjugate
Lithocholic acid glycine conjugic acid
Lithocholoyglycine
Lithocholylglycine
N-((3-a,5-b)-3-Hydroxy-24-oxocholan-24-yl)glycine
N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine
N-((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)glycine
N-(3a-Hydroxy-5b-cholan-24-oyl)-glycine
N-(3a-Hydroxy-5b-cholanoyl)glycine
N-(Carboxymethyl)-3a-hydroxy-5b-cholan-24-amide
N-[(3alpha,5beta)-24-Oxo-3-(sulfooxy)cholan-24-yl]glycine
Sulfoglycolithocholic acid
Sulfolithocholylglycine
[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

metacyc.compound:GLYCOLITHOCHOLATE
metacycM:GLYCOLITHOCHOLATE
SLM:000501338
slm:000501338
XBSQTYHEGZTYJE-OETIFKLTSA-M 		glycolithocholate

vmhM:CE5560
vmhmetabolite:CE5560
vmhM:HC02193
vmhmetabolite:HC02193
XBSQTYHEGZTYJE-OETIFKLTSA-M
XBSQTYHEGZTYJE-OETIFKLTSA-N 		glycolithocholate
2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

CHEBI:37998
chebi:37998
XBSQTYHEGZTYJE-OETIFKLTSA-N 		glycolithocholic acid
Glycolithocholate
Glycolithocholic acid
Lithocholic acid glycine conjugate
Lithocholylglycine
N-((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)glycine
N-(3alpha-hydroxy-5beta-cholan-24-oyl)glycine

hmdb:HMDB0002474
hmdb:HMDB00698
hmdb:HMDB02474
biggM:M_HC02193
keggC:M_C15557
seedM:M_cpd11226
vmhM:M_CE5560
vmhM:M_HC02193 		secondary/obsolete/fantasy identifier