Exact Mass: 477.1161

Exact Mass Matches: 477.1161

Found 134 metabolites which its exact mass value is equals to given mass value 477.1161, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

8-methylthiooctyl glucosinolate

8-Methylthio-octyl glucosinolate

C16H31NO9S3 (477.1161)


Acquisition and generation of the data is financially supported by the Max-Planck-Society

   

CB3717

10-Propargyl-5,8-dideazafolic acid

C24H23N5O6 (477.1648)


D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents

   

10-Propargyl-5,8-dideazafolic acid

2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid

C24H23N5O6 (477.1648)


   

(3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate

(3,5-Dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylic acid

C22H21Cl2N3O5 (477.0858)


   

4-(7-(((1R)-1-((3-Chloro-2-thienyl)methyl)propyl)amino)-3H-imidazo(4,5-b)pyridin-3-yl)-N-ethyl-2,3-dihydroxycyclopentanecarboxamide, (1S,2R,3S,4R)-

4-(7-(((1R)-1-((3-Chloro-2-thienyl)methyl)propyl)amino)-3H-imidazo(4,5-b)pyridin-3-yl)-N-ethyl-2,3-dihydroxycyclopentanecarboxamide, (1S,2R,3S,4R)-

C22H28ClN5O3S (477.1601)


   

Isopropyl 4-(1-(2-fluoro-4-(methylsulfonyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)piperidine-1-carboxylate

Isopropyl 4-(1-(2-fluoro-4-(methylsulphonyl)phenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yloxy)piperidine-1-carboxylic acid

C21H24FN5O5S (477.1482)


   

ARN-509

4-{7-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-8-oxo-6-sulphanylidene-5,7-diazaspiro[3.4]octan-5-yl}-2-fluoro-N-methylbenzene-1-carboximidic acid

C21H15F4N5O2S (477.0883)


   

Benoxaprofen glucuronide

6-({2-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]propanoyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

C22H20ClNO9 (477.0827)


   

(S)-N-((1-(5-(4-Fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide

N-({1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl}methyl)-1-benzofuran-4-carboximidate

C26H24FN3O3S (477.1522)


   

Suriclone

6-(7-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-(1,4)dithiino(2,3-c)pyrrol-5-yl-4-methylpiperazine-1-carboxylate

C20H20ClN5O3S2 (477.0696)


D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent

   

Malvidin 3-rhamnoside

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium

C23H25O11 (477.1397)


Malvidin 3-rhamnoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Malvidin 3-rhamnoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-rhamnoside can be found in common pea and grass pea, which makes malvidin 3-rhamnoside a potential biomarker for the consumption of these food products.

   
   

Isorhamnetin 7-alpha-D-Glucosamine

7- [ (2-Amino-2-deoxy-alpha-D-glucopyranosyl) oxy ] -3,5-dihydroxy-2- (4-hydroxy-3-methoxyphenyl) -4H-1-benzopyran-4-one

C22H23NO11 (477.1271)


   

Malvidin 3-rhamnoside

Malvidin 3-rhamnoside

C23H25O11 (477.1397)


   
   
   
   

(Methylsulfanyl)octyl glucosinolate

(Methylsulfanyl)octyl glucosinolate

C16H31NO9S3 (477.1161)


Annotation level-3

   

Cys Asn Asn Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C16H27N7O8S (477.1642)


   

Cys Asn Gln Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C16H27N7O8S (477.1642)


   

Cys Gln Asn Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C16H27N7O8S (477.1642)


   

Asp Asp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C16H23N5O12 (477.1343)


   

Asp Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid

C16H23N5O12 (477.1343)


   

Asp Asn Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]butanedioic acid

C16H23N5O12 (477.1343)


   

Asn Cys Asn Gln

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanoic acid

C16H27N7O8S (477.1642)


   

Asn Cys Gln Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanoic acid

C16H27N7O8S (477.1642)


   

Asn Asp Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-carboxypropanamido]butanedioic acid

C16H23N5O12 (477.1343)


   

Asn Asn Cys Gln

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-4-carbamoylbutanoic acid

C16H27N7O8S (477.1642)


   

Asn Asn Gln Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanoic acid

C16H27N7O8S (477.1642)


   

Asn Gln Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C16H27N7O8S (477.1642)


   

Asn Gln Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C16H27N7O8S (477.1642)


   

Gln Cys Asn Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

C16H27N7O8S (477.1642)


   

Gln Asn Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C16H27N7O8S (477.1642)


   

Gln Asn Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C16H27N7O8S (477.1642)


   
   
   
   

Folic Acid Dihydrate

Folic Acid Dihydrate

C19H23N7O8 (477.1608)


   

Acridine mustard

6-CHLORO-9-[3-N-(2-CHLOROETHYL)ETHYLAMINO]PROPYLAMINO-2-METHOXYACRIDINE DIHYDROCHLORIDE

C21H27Cl4N3O (477.0908)


D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds D009676 - Noxae > D000477 - Alkylating Agents D009676 - Noxae > D009153 - Mutagens

   

Phosphinic amide,P,P-diphenyl-N-(triphenylphosphoranylidene)-

Phosphinic amide,P,P-diphenyl-N-(triphenylphosphoranylidene)-

C30H25NOP2 (477.1411)


   

GW843682X

5-(5,6-Dimethoxy-1-benzimidazolyl)-3-[[2-(trifluoromethyl)phenyl]methoxy]-2-thiophenecarboxamide

C22H18F3N3O4S (477.097)


   

2-Thiophenecarboxamide, 5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]amino]propyl]

2-Thiophenecarboxamide, 5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]amino]propyl]

C19H19ClF3N3O4S (477.0737)


   

Flutropium bromide

Flutropium bromide

C24H29BrFNO3 (477.1315)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C29714 - Mast Cell Stabilizer

   

1,3,4,6-TETRA-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSE

1,3,4,6-TETRA-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSE

C22H23NO11 (477.1271)


   
   
   

2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline

2-Cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)quinoline

C31H25FNOP (477.1658)


   

ARN-509

Apalutamide

C21H15F4N5O2S (477.0883)


L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BB - Anti-androgens C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C146993 - Androgen Receptor Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen

   
   
   
   

Fmoc-D-Phe(F5)-OH

Fmoc-D-Phe(F5)-OH

C24H16F5NO4 (477.0999)


   

(S)-N-((1-(5-(4-Fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide

(S)-N-((1-(5-(4-Fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide

C26H24FN3O3S (477.1522)


   

1-((2-Bromophenyl)sulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indole

1-((2-Bromophenyl)sulfonyl)-5-methoxy-3-((4-methylpiperazin-1-yl)methyl)-1H-indole

C21H24BrN3O3S (477.0722)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist

   

10-Propargyl-5,8-dideazafolic acid

N-(4-(N-((2-amino-3,4-dihydro-4-oxo-6-quinazolinyl)methyl)-N-prop-2-ynylamino)benzoyl)glutamic acid

C24H23N5O6 (477.1648)


D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D000970 - Antineoplastic Agents

   

Sulopenem etzadroxil

Sulopenem etzadroxil

C19H27NO7S3 (477.095)


C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

   

Benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester

Benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester

C24H20FN5O5 (477.1448)


   

2-(4-morpholinyl)-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

2-(4-morpholinyl)-N-[(4-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

C21H19N9O3S (477.1332)


   

2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-N-(2-furanylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C25H23N3O5S (477.1358)


   

GlcA(b1-3)GalNAc4S

GlcA(b1-3)GalNAc4S

C14H23NO15S (477.0788)


   

N-({(2s)-1-[(3r)-3-Amino-4-(3-Chlorophenyl)butanoyl]pyrrolidin-2-Yl}methyl)-3-(Methylsulfonyl)benzamide

N-({(2s)-1-[(3r)-3-Amino-4-(3-Chlorophenyl)butanoyl]pyrrolidin-2-Yl}methyl)-3-(Methylsulfonyl)benzamide

C23H28ClN3O4S (477.1489)


   
   

Pradigastat sodium

Pradigastat sodium

C25H23F3N3NaO2 (477.164)


C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent C471 - Enzyme Inhibitor

   

Dermatan sulfate

Dermatan sulfate

C14H23NO15S (477.0788)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents D006401 - Hematologic Agents > D000925 - Anticoagulants

   

Chondroitin 4-sulfate

Chondroitin 4-sulfate

C14H23NO15S (477.0788)


   

(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H23NO15S (477.0788)


   

4-(7-(((1R)-1-((3-Chloro-2-thienyl)methyl)propyl)amino)-3H-imidazo(4,5-b)pyridin-3-yl)-N-ethyl-2,3-dihydroxycyclopentanecarboxamide, (1S,2R,3S,4R)-

4-(7-(((1R)-1-((3-Chloro-2-thienyl)methyl)propyl)amino)-3H-imidazo(4,5-b)pyridin-3-yl)-N-ethyl-2,3-dihydroxycyclopentanecarboxamide, (1S,2R,3S,4R)-

C22H28ClN5O3S (477.1601)


   

(S)-N-((1-(5-(4-Fluorophenyl)-2-methylthiazole-4-carbonyl)piperidin-2-yl)methyl)benzofuran-4-carboxamide

N-({1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl}methyl)-1-benzofuran-4-carboximidate

C26H24FN3O3S (477.1522)


   

AUREOMYCIN

AUREOMYCIN

C22H22ClN2O8- (477.1065)


D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D004791 - Enzyme Inhibitors > D011500 - Protein Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents

   

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-9-methylsulfanyl-N-sulfooxynonanimidothioate

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-9-methylsulfanyl-N-sulfooxynonanimidothioate

C16H31NO9S3 (477.1161)


   

Malvidin 3-rhamnoside

Malvidin 3-rhamnoside

C23H25O11+ (477.1397)


   

N-(5-methyl-3-isoxazolyl)-2-[[1-[[3-(trifluoromethyl)phenyl]methyl]-3-indolyl]sulfonyl]acetamide

N-(5-methyl-3-isoxazolyl)-2-[[1-[[3-(trifluoromethyl)phenyl]methyl]-3-indolyl]sulfonyl]acetamide

C22H18F3N3O4S (477.097)


   

alpha-D-GlcNAc6S-(1->4)-D-GlcA

alpha-D-GlcNAc6S-(1->4)-D-GlcA

C14H23NO15S (477.0788)


A carbohydrate acid derivative that consists of D-glucuronic acid having a 6-O-sulfo-N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate.

   

6-Amino-5-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

6-Amino-5-[2-[[4-(4-chlorophenyl)-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione

C20H24ClN7O3S (477.135)


   

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-(4-morpholinylsulfonyl)benzamide

C21H23N3O6S2 (477.1028)


   

3-[Ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester

3-[Ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester

C26H23NO6S (477.1246)


   

6-(butylsulfamoyl)-N-(2,2-dimethoxyethyl)-2-thiophen-2-yl-4-quinolinecarboxamide

6-(butylsulfamoyl)-N-(2,2-dimethoxyethyl)-2-thiophen-2-yl-4-quinolinecarboxamide

C22H27N3O5S2 (477.1392)


   

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethanone

C20H23N5O3S3 (477.0963)


   

2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide

2-[[5-[(4-fluorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide

C20H20FN5O4S2 (477.0941)


   

4-amino-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide

4-amino-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide

C20H23N5O5S2 (477.1141)


   

2-Thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester

2-Thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester

C26H23NO6S (477.1246)


   

2-(4-morpholinyl)-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

2-(4-morpholinyl)-N-[(6-nitro-1H-benzimidazol-2-yl)methyl]-9-(3-thiophenyl)-6-purinamine

C21H19N9O3S (477.1332)


   

IdoA(a1-3)GalNAc4S

IdoA(a1-3)GalNAc4S

C14H23NO15S (477.0788)


   

3-chloro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

3-chloro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

3-chloro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]benzenesulfonamide

C21H24ClN5O4S (477.1237)


   

2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

C23H27NO8S (477.1457)


   

[(3aS,4R,9bS)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4R,9bS)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C26H24FN3O3S (477.1522)


   

2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

C23H27NO8S (477.1457)


   

(1R,9S,10S,11S)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

(1R,9S,10S,11S)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

C22H24FN3O6S (477.137)


   

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

C23H27NO8S (477.1457)


   

N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

C23H27NO8S (477.1457)


   

[(3aR,4R,9bR)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aR,4R,9bR)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C26H24FN3O3S (477.1522)


   

(1S,9R,10R,11R)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

(1S,9R,10R,11R)-12-(2-fluorophenyl)sulfonyl-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

C22H24FN3O6S (477.137)


   

N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide

C19H31N3O7S2 (477.1603)


   

2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid

C23H27NO8S (477.1457)


   

[(3aS,4S,9bS)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

[(3aS,4S,9bS)-1-(2-fluorophenyl)sulfonyl-5-methyl-8-[2-(3-pyridinyl)ethynyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol

C26H24FN3O3S (477.1522)


   

GlcA(b1-3)GalNAc6S

GlcA(b1-3)GalNAc6S

C14H23NO15S (477.0788)


   

IdoA(a1-3)GalNAc6S

IdoA(a1-3)GalNAc6S

C14H23NO15S (477.0788)


   

GalNAc4S(b1-4)GlcA

GalNAc4S(b1-4)GlcA

C14H23NO15S (477.0788)


   

IdoA2S(a1-3)GalNAc

IdoA2S(a1-3)GalNAc

C14H23NO15S (477.0788)


   

GalNAc4S(b1-4)b-GlcA

GalNAc4S(b1-4)b-GlcA

C14H23NO15S (477.0788)


   

(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C14H23NO15S (477.0788)


   

chlortetracycline(1-)

chlortetracycline(1-)

C22H22ClN2O8 (477.1065)


An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).

   

Propargyldideazafolic acid

Propargyldideazafolic acid

C24H23N5O6 (477.1648)


   

Glutathione diethyl ester (TFA)

Glutathione diethyl ester (TFA)

C16H26F3N3O8S (477.1393)


Glutathione diethyl ester (TFA) is a delivery agent for glutathione monoester, and thus for glutathione, in human cells and therefore could serve to decrease oxidative stress and toxicity[1].

   

{[9-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene]amino}oxysulfonic acid

{[9-(methylsulfanyl)-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene]amino}oxysulfonic acid

C16H31NO9S3 (477.1161)


   

7-{[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

7-{[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C22H23NO11 (477.1271)


   

{[2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

{[2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

C16H23N5O12 (477.1343)


   

methyl (1r,12s)-7-oxo-10-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-triene-4-carboxylate

methyl (1r,12s)-7-oxo-10-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-triene-4-carboxylate

C25H23N3O7 (477.1536)


   

[(z)-[9-(methylsulfanyl)-1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene]amino]oxysulfonic acid

[(z)-[9-(methylsulfanyl)-1-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}nonylidene]amino]oxysulfonic acid

C16H31NO9S3 (477.1161)


   

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-{[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

[C23H25O11]+ (477.1397)


   

(1s,9s,11s,12e,14e,19z,22r)-3,9,11,18-tetrahydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1⁴,⁷]heptacosa-2,4,7(27),12,14,17,19-heptaen-24-one

(1s,9s,11s,12e,14e,19z,22r)-3,9,11,18-tetrahydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1⁴,⁷]heptacosa-2,4,7(27),12,14,17,19-heptaen-24-one

C22H27N3O7S (477.157)


   

(s)-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid

(s)-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid

C16H23N5O12 (477.1343)


   

(s)-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[(2r,3s,4r,5r)-5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

(s)-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[(2r,3s,4r,5r)-5-(4-formyl-2-hydroxyimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

C16H23N5O12 (477.1343)


   

(1s,9r,11s,12z,14z,19z,22r)-3,9,11,18-tetrahydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1⁴,⁷]heptacosa-2,4,7(27),12,14,17,19-heptaen-24-one

(1s,9r,11s,12z,14z,19z,22r)-3,9,11,18-tetrahydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1⁴,⁷]heptacosa-2,4,7(27),12,14,17,19-heptaen-24-one

C22H27N3O7S (477.157)


   

(2s,3r,4s,4ar,11br)-2,3,4-tris(acetyloxy)-6-hydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-7-yl acetate

(2s,3r,4s,4ar,11br)-2,3,4-tris(acetyloxy)-6-hydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-7-yl acetate

C22H23NO11 (477.1271)


   

{[2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid

{[2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]acetic acid

C16H23N5O12 (477.1343)


   

(10r,13s)-1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-6,7,10,11,12,13-hexahydro-9-oxa-2-azahexaphen-14-one

(10r,13s)-1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-6,7,10,11,12,13-hexahydro-9-oxa-2-azahexaphen-14-one

C26H23NO8 (477.1424)


   

7-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

7-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C22H23NO11 (477.1271)


   

methyl 7-oxo-10-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-triene-4-carboxylate

methyl 7-oxo-10-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.0¹,¹².0²,⁶]trideca-2(6),3,8-triene-4-carboxylate

C25H23N3O7 (477.1536)


   

1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-6,7,10,11,12,13-hexahydro-9-oxa-2-azahexaphen-14-one

1,10,13,15,16-pentahydroxy-8-methoxy-3-methyl-6,7,10,11,12,13-hexahydro-9-oxa-2-azahexaphen-14-one

C26H23NO8 (477.1424)