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Glycosylforbindelser

Kulhydratderivater, hvor et sukker er bundet til en anden funktionel gruppe via en glykosidbinding; spiller adskillige roller i levende organismer; kan klassificeres og anvendes baseret på glycon/tilstedeværelse af sukker, bindingstype eller agylcon.

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1

Nikotinsyre Ribosid, TRC

CAS: 17720-18-2 Molekylær formel: C11 H13 N O6 Molekylvægt (g/mol): 255.22 Synonym: Nicotinic riboside,Nicotinic acid ribonucleoside IUPAC navn: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylat SMIL: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]2cccc(c2)C(=O)[O-]

Molekylvægt (g/mol) 255.22
CAS 17720-18-2
Synonym Nicotinic riboside,Nicotinic acid ribonucleoside
SMIL OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)[n+]2cccc(c2)C(=O)[O-]
IUPAC navn 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylat
Molekylær formel C11 H13 N O6
2

Mycophenolsyre Beta-D-Glucuronid, TRC

CAS: 31528-44-6 Molekylær formel: C23 H28 O12 Molekylvægt (g/mol): 496.46 Synonym: Mycophenolic Acid β-D-Glucuronide IUPAC navn: (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxan-2-carboxylsyre SMIL: COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=O)O

Molekylvægt (g/mol) 496.46
CAS 31528-44-6
Synonym Mycophenolic Acid β-D-Glucuronide
SMIL COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=O)O
IUPAC navn (2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxan-2-carboxylsyre
Molekylær formel C23 H28 O12
3

Koffeinsyre 4-beta-D-glucuronid, TRC

CAS: 1093679-71-0 Molekylær formel: C15H16O11 Molekylvægt (g/mol): 356.28 Synonym: 4-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid; IUPAC navn: (2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-carboxylsyre SMIL: C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O

Molekylvægt (g/mol) 356.28
CAS 1093679-71-0
Synonym 4-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid;
SMIL C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O
IUPAC navn (2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-carboxylsyre
Molekylær formel C15H16O11
4

Koffeinsyre 3-beta-D-glucuronid, TRC

CAS: 1093679-73-2 Molekylær formel: C15H16O10 Molekylvægt (g/mol): 356.28 Synonym: 5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid; IUPAC navn: (2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-carboxylsyre SMIL: C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O

Molekylvægt (g/mol) 356.28
CAS 1093679-73-2
Synonym 5-[(1E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-Glucopyranosiduronic Acid;
SMIL C1=CC(=C(C=C1C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O)O
IUPAC navn (2S,3S,4S,5R,6S)-6-[5-[(E)-2-carboxyethenyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxan-2-carboxylsyre
Molekylær formel C15H16O10
5

Dihydro isoferulsyre 3-O-beta-D-glucuronid, TRC

CAS: 1187945-72-7 Molekylær formel: C16H20O10 Molekylvægt (g/mol): 372.32 Synonym: 5-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroisoferulic Acid 3-O-Glucuronide; SMIL: COc1ccc(CCC(=O)O)cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O

Molekylvægt (g/mol) 372.32
CAS 1187945-72-7
Synonym 5-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroisoferulic Acid 3-O-Glucuronide;
SMIL COc1ccc(CCC(=O)O)cc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O
Molekylær formel C16H20O10
6

Dihydroferulinsyre 4-O-beta-D-glucuronid, TRC

CAS: 86321-28-0 Molekylær formel: C16H20O10 Molekylvægt (g/mol): 372.32 Synonym: 4-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroferulic Acid 4-O-Glucuronide SMIL: COc1cc(CCC(=O)O)ccc1O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)O

Molekylvægt (g/mol) 372.32
CAS 86321-28-0
Synonym 4-(2-Carboxyethyl)-2-methoxyphenyl β-D-Glucopyranosiduronic Acid,Dihydroferulic Acid 4-O-Glucuronide
SMIL COc1cc(CCC(=O)O)ccc1O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)O
Molekylær formel C16H20O10
7

Ferulinsyre 4-O-beta-D-glucuronid dinatriumsalt, TRC

CAS: 86321-24-6 Molekylær formel: C16H18O10 Molekylvægt (g/mol): 370.31 Synonym: Ferulic Acid-B-O-B-D-Glucuronide SMIL: [Na+].[Na+].COc1cc(C=CC(=O)[O-])ccc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-]

Molekylvægt (g/mol) 370.31
CAS 86321-24-6
Synonym Ferulic Acid-B-O-B-D-Glucuronide
SMIL [Na+].[Na+].COc1cc(C=CC(=O)[O-])ccc1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-]
Molekylær formel C16H18O10
8

4-nitrophenyl-beta-D-glucuronidhydrat, 99+%

CAS: 10344-94-2 Molekylær formel: C12H12NO9 Molekylvægt (g/mol): 314.23 MDL nummer: MFCD00036210 InChI nøgle: QSUILVWOWLUOEU-GOVZDWNOSA-M Synonym: 4-nitrophenyl-beta-d-glucuronide,4-nitrophenylglucuronide,4-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl beta-d-glucuronide,p-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl b-d-glucosiduronic acid,p-nitrophenyl-b-d-glucuronide,p-nitrophenyl beta-d-glucuronide,beta-d-glucopyranosiduronic acid, 4-nitrophenyl, labeled with carbon-14,4-nitrophenyl-beta-d-glucopyranosiduronic acid PubChem CID: 82565 IUPAC navn: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-carboxylat SMIL: O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)O[C@@H]([C@H]1O)C([O-])=O

MDL nummer MFCD00036210
PubChem CID 82565
Molekylvægt (g/mol) 314.23
CAS 10344-94-2
Synonym 4-nitrophenyl-beta-d-glucuronide,4-nitrophenylglucuronide,4-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl beta-d-glucuronide,p-nitrophenyl beta-d-glucopyranosiduronic acid,4-nitrophenyl b-d-glucosiduronic acid,p-nitrophenyl-b-d-glucuronide,p-nitrophenyl beta-d-glucuronide,beta-d-glucopyranosiduronic acid, 4-nitrophenyl, labeled with carbon-14,4-nitrophenyl-beta-d-glucopyranosiduronic acid
SMIL O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)O[C@@H]([C@H]1O)C([O-])=O
IUPAC navn (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-nitrophenoxy)oxan-2-carboxylat
InChI nøgle QSUILVWOWLUOEU-GOVZDWNOSA-M
Molekylær formel C12H12NO9
9

p-Cresol glucuronid, TRC

CAS: 17680-99-8 Molekylær formel: C13H16O7 Molekylvægt (g/mol): 284.26 Synonym: 4-Methylphenyl β-D-Glucopyranosiduronic Acid,β-D-p-Tolyl-glucopyranosiduronic Acid,p-Tolyl-β-D-glucosiduronic Acid,4-Cresol Glucuronide,p-Methylphenyl-β-D-glucopyranosiduronic Acid,p-Tolyl-β-glucuronic Acid; IUPAC navn: (3S,4S,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)tetrahydropyran-2-carboxylsyre SMIL: Cc1ccc(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(=O)O)cc1

Molekylvægt (g/mol) 284.26
CAS 17680-99-8
Synonym 4-Methylphenyl β-D-Glucopyranosiduronic Acid,β-D-p-Tolyl-glucopyranosiduronic Acid,p-Tolyl-β-D-glucosiduronic Acid,4-Cresol Glucuronide,p-Methylphenyl-β-D-glucopyranosiduronic Acid,p-Tolyl-β-glucuronic Acid;
SMIL Cc1ccc(O[C@@H]2OC([C@@H](O)[C@H](O)C2O)C(=O)O)cc1
IUPAC navn (3S,4S,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)tetrahydropyran-2-carboxylsyre
Molekylær formel C13H16O7
11

Desacetyl bisacodyl beta-D-glucuronid, TRC

CAS: 31050-47-2 Molekylær formel: C24H23NO8 Molekylvægt (g/mol): 453.44 Synonym: 4-[(4-Hydroxyphenyl)-2-pyridinylmethyl]phenyl β-D-Glucopyranosiduronic Acid,α-(p-Hydroxyphenyl)-α-2-pyridyl-p-tolyl Glucosiduronic Acid; IUPAC navn: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-((4-hydroxyphenyl)(pyridin-2-yl)methyl)phenoxy)tetrahydro-2H-pyran-2-carboxylsyre SMIL: OC(C=C1)=CC=C1C(C2=CC=CC=N2)C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3

Molekylvægt (g/mol) 453.44
CAS 31050-47-2
Synonym 4-[(4-Hydroxyphenyl)-2-pyridinylmethyl]phenyl β-D-Glucopyranosiduronic Acid,α-(p-Hydroxyphenyl)-α-2-pyridyl-p-tolyl Glucosiduronic Acid;
SMIL OC(C=C1)=CC=C1C(C2=CC=CC=N2)C3=CC=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=C3
IUPAC navn (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-((4-hydroxyphenyl)(pyridin-2-yl)methyl)phenoxy)tetrahydro-2H-pyran-2-carboxylsyre
Molekylær formel C24H23NO8
12

Thermo Scientific Chemicals Methylcellulose, viskositet 8000 cPs

CAS: 9004-67-5 Molekylær formel: C20H38O11 Molekylvægt (g/mol): 454.513 MDL nummer: MFCD00081763 InChI nøgle: YLGXILFCIXHCMC-JHGZEJCSSA-N PubChem CID: 51063134 IUPAC navn: (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan SMIL: COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC

MDL nummer MFCD00081763
PubChem CID 51063134
Molekylvægt (g/mol) 454.513
CAS 9004-67-5
SMIL COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
IUPAC navn (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan
InChI nøgle YLGXILFCIXHCMC-JHGZEJCSSA-N
Molekylær formel C20H38O11
13

Methylcellulose, viskositet 400 cP (2% opløsning i vand)

CAS: 9004-67-5 Molekylær formel: C20H38O11 Molekylvægt (g/mol): 454.513 MDL nummer: MFCD00081763 InChI nøgle: YLGXILFCIXHCMC-JHGZEJCSSA-N PubChem CID: 51063134 IUPAC navn: (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan SMIL: COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC

MDL nummer MFCD00081763
PubChem CID 51063134
Molekylvægt (g/mol) 454.513
CAS 9004-67-5
SMIL COCC1C(C(C(C(O1)OC2C(OC(C(C2OC)OC)OC)COC)OC)OC)OC
IUPAC navn (5R)-2,3,4-trimethoxy-6-(methoxymethyl)-5-[(2S)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan
InChI nøgle YLGXILFCIXHCMC-JHGZEJCSSA-N
Molekylær formel C20H38O11
14

4-acetamidophenyl beta-d-glucuronid natriumsalt, TRC

CAS: 120595-80-4 Molekylær formel: C14 H16 N O8 . Na Molekylvægt (g/mol): 349.27 Synonym: β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, sodium salt (1:1),β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, monosodium salt (9CI),4-Acetamidophenyl β-D-glucuronide sodium salt,N-Acetyl-4-aminophenol glucuronide sodium salt,Acetaminophen glucuronide sodium salt,Paracetamol glucuronide sodium,Paracetamol β-D-glucuronide sodium salt,Paracetamol O-glucuronide sodium IUPAC navn: natrium; (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxan-2-carboxylat SMIL: [Na+].CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])cc1

Molekylvægt (g/mol) 349.27
CAS 120595-80-4
Synonym β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, sodium salt (1:1),β-D-Glucopyranosiduronic acid, 4-(acetylamino)phenyl, monosodium salt (9CI),4-Acetamidophenyl β-D-glucuronide sodium salt,N-Acetyl-4-aminophenol glucuronide sodium salt,Acetaminophen glucuronide sodium salt,Paracetamol glucuronide sodium,Paracetamol β-D-glucuronide sodium salt,Paracetamol O-glucuronide sodium
SMIL [Na+].CC(=O)Nc1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)[O-])cc1
IUPAC navn natrium; (2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxan-2-carboxylat
Molekylær formel C14 H16 N O8 . Na
15

3'-Hydroxytyrosol 3'-Glucuronid, TRC

CAS: 425408-50-0 Molekylær formel: C14H18O9 Molekylvægt (g/mol): 330.29 Synonym: 2-Hydroxy-5-(2-hydroxyethyl)phenyl β-D-Glucopyranosiduronic Acid IUPAC navn: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-(2-hydroxyethyl)fenoxy)tetrahydro-2H-pyran-2-carboxylsyre SMIL: O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CCO)=CC=C2O

Molekylvægt (g/mol) 330.29
CAS 425408-50-0
Synonym 2-Hydroxy-5-(2-hydroxyethyl)phenyl β-D-Glucopyranosiduronic Acid
SMIL O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=CC(CCO)=CC=C2O
IUPAC navn (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-hydroxy-5-(2-hydroxyethyl)fenoxy)tetrahydro-2H-pyran-2-carboxylsyre
Molekylær formel C14H18O9