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glycolithocholate 3-sulfate

MNXM4834 is deprecated and here replaced by MNXM1371797
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371797 Image of MNXM1371797
referencechebi:60007
formulaC26H41NO7S
global charge-2
mol weight511.681
InChIKeyFHXBAFXQVZOILS-OETIFKLTSA-L
InChIInChI=1S/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/p-2/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](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C26H43NO7S/c1-16(4-9-23(28)27-15-24(29)30)20-7-8-21-19-6-5-17-14-18(34-35(31,32)33)10-12-25(17,2)22(19)11-13-26(20,21)3/h16-22H,4-15H2,1-3H3,(H,27,28)(H,29,30)(H,31,32,33)/t16-,17-,18-,19+,20-,21+,22+,25+,26-/m1/s1 Image of MNXM1371797
SMILES (mnx)[CH3:1][C@H:16]([CH2:4][CH2:9][C:23](=[N:27][CH2:15][C:24](=[O:29])[OH:30])[OH:28])[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]([O:34][S:35]([OH:31])(=[O:32])=[O:33])[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)8
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60007
chebi:60007
FHXBAFXQVZOILS-OETIFKLTSA-L 		glycolithocholate 3-sulfate
N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycinate
glycolithocholate sulfate
sulfoglycolithocholate(2-)

bigg.metabolite:HC02197
biggM:HC02197
FHXBAFXQVZOILS-OETIFKLTSA-L 		Sulfoglycolithocholate(2-)

lipidmaps:LMST05030004
lipidmapsM:LMST05030004
FHXBAFXQVZOILS-OETIFKLTSA-N 		Sulfoglycolithocholate
GLCA-3S
GLCAS
Glycolithocholic acid 3-sulfate
N-(3alpha-hydroxy-5beta-cholan-24-oyl)-glycine 3-sulfate

seed.compound:cpd08159
seedM:cpd08159
FHXBAFXQVZOILS-OETIFKLTSA-L 		Sulfoglycolithocholate
Glycolithocholate 3-sulfate
N-(3'-sulfooxy-5beta-cholan-24-oyl)glycine
Sulfolithocholylglycine
glycolithocholate 3-sulfate
glycolithocholate-3-sulfate
sulfoglycolithocholate
sulfolithocholylglycine

kegg.compound:C11301
keggC:C11301
FHXBAFXQVZOILS-OETIFKLTSA-M 		Sulfoglycolithocholate
Glycolithocholate 3-sulfate
Sulfolithocholylglycine
hmdb:HMDB0002639
FHXBAFXQVZOILS-OETIFKLTSA-N 		Sulfolithocholylglycine
2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid
3alpha-Hydroxy-5beta-cholanoylglycine 3-sulfate
3alpha-Hydroxy-5beta-cholanoylglycine 3-sulphate
3alpha-hydroxy-5beta-cholanoylglycine 3-sulfate
3alpha-hydroxy-5beta-cholanoylglycine 3-sulphate
Glycolithocholate 3-sulfate
Glycolithocholate 3-sulphate
Glycolithocholate sulfate
Glycolithocholate sulphate
Glycolithocholic acid 3-sulfate
Glycolithocholic acid 3-sulfuric acid
Glycolithocholic acid 3-sulphate
Glycolithocholic acid 3-sulphuric acid
Glycolithocholic acid 3alpha-sulfate
Glycolithocholic acid 3alpha-sulphate
Glycolithocholic acid sulfate
Glycolithocholic acid sulfuric acid
Glycolithocholic acid sulphate
Glycolithocholic acid sulphuric acid
N-[(3alpha,5beta)-24-oxo-3-(Sulfooxy)cholan-24-yl]glycine
N-[(3alpha,5beta)-24-oxo-3-(sulfooxy)cholan-24-yl]glycine
Sulfoglycolithocholate
Sulfoglycolithocholic acid
Sulfolithoglycocholine
Sulphoglycolithocholate
Sulphoglycolithocholic acid
Sulpholithocholylglycine
[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

metacyc.compound:GLYCOLITHOCHOLATE-3-SULFATES
metacycM:GLYCOLITHOCHOLATE-3-SULFATES
FHXBAFXQVZOILS-OETIFKLTSA-L 		glycolithocholate 3-sulfate
N-(3'-sulfooxy-5beta-cholan-24-oyl)glycine
sulfoglycolithocholate
sulfolithocholylglycine

vmhM:HC02197
vmhmetabolite:HC02197
FHXBAFXQVZOILS-OETIFKLTSA-L 		sulfoglycolithocholate(2-)
2-[(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-2,15-dimethyl-5-(sulfooxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]acetic acid

CHEBI:9347
chebi:9347
FHXBAFXQVZOILS-OETIFKLTSA-N 		sulfoglycolithocholic acid
Glycolithocholate 3-sulfate
Glycolithocholic acid 3-sulfate
Glycolithocholic acid sulfate
N-[3alpha-(sulfonatooxy)-5beta-cholan-24-oyl]glycine
Sulfoglycolithocholate
Sulfolithocholylglycine
glycolithocholate sulfate

hmdb:HMDB02639
biggM:M_HC02197
keggC:M_C11301
seedM:M_cpd08159
vmhM:M_HC02197 		secondary/obsolete/fantasy identifier