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glycolithocholate

MNXM736495 is deprecated and replaced by MNXM736494

Properties

Image

Occurences in reactions

MNX_ID

MNXM736494

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	15

formula

C₂₆H₄₂NO₄

charge

-1

mass

432.31193

reference

chebi:60008

InChIKey

XBSQTYHEGZTYJE-OETIFKLTSA-M

InChI

InChI=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

SMILES

C[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@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60008 chebi:60008	glycolithocholate N-(3alpha-hydroxy-5beta-cholan-24-oyl)glycinate
bigg.metabolite:HC02193 biggM:HC02193 sabiork.compound:23309 sabiorkM:23309	Glycolithocholate
kegg.compound:C15557 keggC:C15557	Glycolithocholate Glycolithocholic acid
seed.compound:cpd11226 seedM:cpd11226	Glycolithocholate Glycolithocholic acid glycolithocholate
lipidmaps:LMST05030009 lipidmapsM:LMST05030009	Glycolithocholic Acid G Lithocholic acid glycine conjugate N-[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]-glycine O3 ST 24:1
hmdb:HMDB0000698	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	glycolithocholate
CHEBI:37998 chebi:37998	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	secondary/obsolete/fantasy identifier