Exact Mass: 512.1124368000001

Exact Mass Matches: 512.1124368000001

Found 145 metabolites which its exact mass value is equals to given mass value 512.1124368000001, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Temocapril hydrochloride

Temocapril (hydrochloride)

C23H29ClN2O5S2 (512.1206334000001)


D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   

{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid

{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid

C21H20O13S (512.062459)


   

{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid

{2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl}oxidanesulfonic acid

C21H20O13S (512.062459)


   

3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)

(3,4,5-Trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoic acid

C23H28O13 (512.1529838)


3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is found in herbs and spices. 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is a constituent of the fruit of allspice (Pimenta dioica) Constituent of the fruit of allspice (Pimenta dioica). 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is found in herbs and spices.

   

Picrosid II, HPLC Grade

2-(Hydroxymethyl)-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0,]dec-7-en-5-yl 4-hydroxy-3-methoxybenzoic acid

C23H28O13 (512.1529838)


   

Dehydrophthalocyanine

2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1^{3,10}.1^{12,19}.1^{21,28}.0^{4,9}.0^{13,18}.0^{22,27}.0^{31,36}]tetraconta-1,3,5,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-octadecaen-7-yne

C32H16N8 (512.1497856)


D011838 - Radiation-Sensitizing Agents

   

O-Benzylfluorescein benzyl ester

benzyl 2-[6-(benzyloxy)-3-oxo-3H-xanthen-9-yl]benzoate

C34H24O5 (512.1623654)


D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins

   

I-Bop

7-{3-[3-hydroxy-4-(4-iodophenoxy)but-1-en-1-yl]-7-oxabicyclo[2.2.1]heptan-2-yl}hept-5-enoic acid

C23H29IO5 (512.1059654)


   

Kutkoside

(5-Hydroxy-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-2-yl)methyl 4-hydroxy-3-methoxybenzoic acid

C23H28O13 (512.1529838)


   

(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid

(2S)-2-[[4-[(2,4-Diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid

C22H24N8O5S (512.1590294)


   

Ampicoside

(1AS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2,3:4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate

C23H28O13 (512.1529838)


Picroside II is a natural product found in Veronica pulvinaris, Veronica thomsonii, and other organisms with data available. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2]. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2].

   

Picroside

(1AS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2,3:4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate

C23H28O13 (512.1529838)


Picroside II is a natural product found in Veronica pulvinaris, Veronica thomsonii, and other organisms with data available. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2]. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2].

   

Picroside II

Picroside II

C23H28O13 (512.1529838)


Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2]. Picroside II, an iridoid compound extracted from Picrorhiza, exhibits anti-inflammatory and anti-apoptotic activities. picroside II alleviates the inflammatory response in sepsis and enhances immune function by inhibiting the activation of NLRP3 inflammasome and NF-κB pathways[1]. Picroside II is an antioxidant, exhibits a significant neuroprotective effect through reducing ROS production and protects the blood-brain barrier (BBB) after cerebral ischemia-reperfusion (CI/R) injury. Picroside II has antioxidant, anti-inflammatory, immune regulatory, anti-virus and other pharmacological activities[2].

   

Gemixanthone A

Gemixanthone A

C26H24O11 (512.1318554)


   

Pachyclavulide D

Pachyclavulide D

C24H29ClO10 (512.1449164)


   

CHLOROCYCLINONE B

CHLOROCYCLINONE B

C26H21ClO9 (512.0874046)


   

Dihydrolophirone C

Dihydrolophirone C

C30H24O8 (512.1471104)


   

SCHEMBL15831083

SCHEMBL15831083

C26H24O11 (512.1318554)


   

NCI60_041413

NCI60_041413

C30H24O8 (512.1471104)


   

Erythrolide I

Erythrolide I

C24H29ClO10 (512.1449164)


   

Lophirone H

Lophirone H

C30H24O8 (512.1471104)


   

Gnetuhainin F

Gnetuhainin F

C30H24O8 (512.1471104)


   

Kutkoside

Kutkoside

C23H28O13 (512.1529838)


   

NSC645270

NSC645270

C23H28O13 (512.1529838)


   

Vitexin 7-O-sulfate

Vitexin 7-O-sulfate

C21H20O13S (512.062459)


   

Isovitexin 7-O-sulfate

5,7,4-Trihydroxyflavone 6-C-glucoside 7-O-sulfate

C21H20O13S (512.062459)


   

3,5,7-Trihydroxyflavone 3-glucoside-8-sulfate

3- (beta-D-Glucopyranosyloxy) -5,7-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-8-sulfonic acid

C21H20O13S (512.062459)


   

Indocarbazostatin D

Indocarbazostatin D

C27H20N4O7 (512.133193)


   

Tuberculatin

9-(1,3-benzodioxol-5-yl)-4-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one

C26H24O11 (512.1318554)


Diphyllin apioside is a natural product found in Justicia patentiflora, Garcinia subelliptica, and other organisms with data available.

   

Galangin 3-O-beta-D-glucoside-8-sulfonate

(-)-Galangin 3-O-beta-D-glucoside-8-sulfonate

C21H20O13S (512.062459)


   

Quercetin pentaacetate

Quercetin pentaacetate

C25H20O12 (512.095472)


   

Sulfemodin-8-O-??-D-glucoside

Sulfemodin-8-O-??-D-glucoside

C21H20O13S (512.062459)


   

Sporothrin C

Sporothrin C

C30H24O8 (512.1471104)


   

apigenin 7-beta-D-glucopyranosyl-2-sulfate|thalassiolin C

apigenin 7-beta-D-glucopyranosyl-2-sulfate|thalassiolin C

C21H20O13S (512.062459)


   

C23H28O13

C23H28O13 (512.1529838)


   

Di-Me ester-3,4-Dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid

Di-Me ester-3,4-Dihydro-6-hydroxy-2-[5-hydroxy-4-carboxynaphtho[1,2-b]furan-2-yl]-2-methyl-2H-naphtho[1,2-b]pyran-5-carboxylic acid

C30H24O8 (512.1471104)


   

erythrolide U

erythrolide U

C24H29ClO10 (512.1449164)


   

CHEMBL516831

CHEMBL516831

C26H24O11 (512.1318554)


   

abyquinone C

abyquinone C

C30H24O8 (512.1471104)


   

Blestriarene B

Blestriarene B

C30H24O8 (512.1471104)


   

pachyclavulide E

pachyclavulide E

C24H29ClO10 (512.1449164)


   

Acetylcretanin

Acetylcretanin

C22H24O14 (512.1166003999999)


   

1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-beta-D-glucose|1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucose

1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-beta-D-glucose|1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxybenzoyl)-beta-D-glucose

C22H24O14 (512.1166003999999)


   

C29H20O9

C29H20O9 (512.110727)


   

Napyradiomycin C2

Napyradiomycin C2

C25H27Cl3O5 (512.0923982)


   

(-)-hopeanol|hopeanol

(-)-hopeanol|hopeanol

C29H20O9 (512.110727)


   

3,5-Dichloro-2-O-methylanziaic acid

3,5-Dichloro-2-O-methylanziaic acid

C25H30Cl2O7 (512.136849)


   

4,5-Di-O-methylhiascic acid

4,5-Di-O-methylhiascic acid

C26H24O11 (512.1318554)


   

dalmanol B

dalmanol B

C30H24O8 (512.1471104)


   

1-(3,4-dimethoxy-5-hydroxyphenyl)-6-(3,5-dimethoxygalloyl)-beta-D-glucopyranose|1-O-3,4-dimethoxy-5-hydroxyphenyl-6-O-(3,5-di-O-methylgalloyl)-beta-glucopyranoside|3,4-dimethoxy-5-hydroxyphenyl 6-O-(3,5-di-O-methylgalloyl)-beta-D-glucopyranoside

1-(3,4-dimethoxy-5-hydroxyphenyl)-6-(3,5-dimethoxygalloyl)-beta-D-glucopyranose|1-O-3,4-dimethoxy-5-hydroxyphenyl-6-O-(3,5-di-O-methylgalloyl)-beta-glucopyranoside|3,4-dimethoxy-5-hydroxyphenyl 6-O-(3,5-di-O-methylgalloyl)-beta-D-glucopyranoside

C23H28O13 (512.1529838)


   

4-hydroxy-2,6-dimethoxyphenyl 6-O-syringoyl-beta-D-glucopyranoside

4-hydroxy-2,6-dimethoxyphenyl 6-O-syringoyl-beta-D-glucopyranoside

C23H28O13 (512.1529838)


   

sinenside B

sinenside B

C23H28O13 (512.1529838)


   

C34H24O5

C34H24O5 (512.1623654)


   

6-sulfooxy-chrysin 7-glucopyranoside

6-sulfooxy-chrysin 7-glucopyranoside

C21H20O13S (512.062459)


   

4-{[4-hydroxy-4-hydroxymethyl-3-(4-hydroxyphenyl)ethynylbiphenyl-2-yl]-(4-hydroxyphenyl)methylene}-2,5-cyclohexadien-1-one|selaginellin

4-{[4-hydroxy-4-hydroxymethyl-3-(4-hydroxyphenyl)ethynylbiphenyl-2-yl]-(4-hydroxyphenyl)methylene}-2,5-cyclohexadien-1-one|selaginellin

C34H24O5 (512.1623654)


   

O鈥樎?Sulfate-Afzelin

O鈥樎?Sulfate-Afzelin

C21H20O13S (512.062459)


   

3,5-Dichloranziasaeuremethylester

3,5-Dichloranziasaeuremethylester

C25H30Cl2O7 (512.136849)


   

Ventilein A|ventilein-A

Ventilein A|ventilein-A

C30H24O8 (512.1471104)


   

5,6,7,3,4-pentaacetoxyflavone

5,6,7,3,4-pentaacetoxyflavone

C25H20O12 (512.095472)


   

(+/-)-(1beta,2alpha,3beta,4alpha)-1,2-di-(2,4-dihydroxybenzoyl)-3,4-di-(4-hydroxyphenyl)cyclobutane|Dimeric 4,2,4-trihydroxydihydrochalcone

(+/-)-(1beta,2alpha,3beta,4alpha)-1,2-di-(2,4-dihydroxybenzoyl)-3,4-di-(4-hydroxyphenyl)cyclobutane|Dimeric 4,2,4-trihydroxydihydrochalcone

C30H24O8 (512.1471104)


   

(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin

(-)-tuberculatin|(?)-4-[(D-apio-beta-D-furanosyl)oxy]-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-naphtho[2,3-c]furan-3-one|diphyllin apioside|diphyllin-1-O-beta-D-apiofuranoside|tuberculatin

C26H24O11 (512.1318554)


   

7-<6-(4-O-acetyl-alpha-L-rhamnopyranosyloxy)-beta-D-glucopyranosyloxy>coumarin|7-[6-(4-O-acetyl-alpha-L-rhamnopyranosyloxy)-beta-D-glucopyranosyloxy]coumarin

7-<6-(4-O-acetyl-alpha-L-rhamnopyranosyloxy)-beta-D-glucopyranosyloxy>coumarin|7-[6-(4-O-acetyl-alpha-L-rhamnopyranosyloxy)-beta-D-glucopyranosyloxy]coumarin

C23H28O13 (512.1529838)


   

3-methoxyumbilicaric acid|3-Methoxyumilicaric acid

3-methoxyumbilicaric acid|3-Methoxyumilicaric acid

C26H24O11 (512.1318554)


   

daurinol beta-D-glucoside|Daurinol glucoside

daurinol beta-D-glucoside|Daurinol glucoside

C26H24O11 (512.1318554)


   

plumieride 13-O-acetate

plumieride 13-O-acetate

C23H28O13 (512.1529838)


   

T988|T988 A|T988A

T988|T988 A|T988A

C23H20N4O4S3 (512.064664)


   

Quercetin acetate

Quercetin acetate

C25H20O12 (512.095472)


   

Peracetate Quercetin

Quercetin pentaacetate

C25H20O12 (512.095472)


relative retention time with respect to 9-anthracene Carboxylic Acid is 1.197 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.201

   

C23H28O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate

NCGC00180420-03_C23H28O13_(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl 4-hydroxy-3-methoxybenzoate

C23H28O13 (512.1529838)


   

selaginellin

selaginellin

C34H24O5 (512.1623654)


   

Selaginpulvilin A

Selaginpulvilin A

C34H24O5 (512.1623654)


   

3,5-Dichloro-2-O-methylanziaic acid

"3,5-Dichloro-2-O-methylanziaic acid"

C25H30Cl2O7 (512.136849)


   

N6-Aristololactam-II-deoxyadenosine

N6-Aristololactam-II-deoxyadenosine

C26H20N6O6 (512.1444260000001)


   

Cys Asp Glu Phe

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Cys Asp Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carboxypropanamido]-3-phenylpropanamido]pentanedioic acid

C21H28N4O9S (512.1576918000001)


   

Cys Glu Asp Phe

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Cys Glu Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-phenylpropanamido]butanedioic acid

C21H28N4O9S (512.1576918000001)


   

Cys Glu Met Met

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Cys Phe Asp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-3-carboxypropanamido]pentanedioic acid

C21H28N4O9S (512.1576918000001)


   

Cys Phe Glu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-phenylpropanamido]-4-carboxybutanamido]butanedioic acid

C21H28N4O9S (512.1576918000001)


   

Cys Met Glu Met

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Cys Met Met Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C18H32N4O7S3 (512.1433042)


   

Asp Cys Glu Phe

(4S)-4-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Asp Cys Phe Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carboxypropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]pentanedioic acid

C21H28N4O9S (512.1576918000001)


   

Asp Glu Cys Phe

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Asp Glu Phe Cys

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Asp Phe Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C21H28N4O9S (512.1576918000001)


   

Asp Phe Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Glu Cys Asp Phe

(4S)-4-amino-4-{[(1R)-1-{[(1S)-2-carboxy-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Glu Cys Phe Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]butanedioic acid

C21H28N4O9S (512.1576918000001)


   

Glu Cys Met Met

(4S)-4-amino-4-{[(1R)-1-{[(1S)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Glu Asp Cys Phe

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1R)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Glu Asp Phe Cys

(4S)-4-amino-4-{[(1S)-2-carboxy-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-phenylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Glu Phe Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-phenylpropanamido]-3-sulfanylpropanamido]butanedioic acid

C21H28N4O9S (512.1576918000001)


   

Glu Phe Asp Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Glu Met Cys Met

(4S)-4-amino-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Glu Met Met Cys

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Phe Cys Asp Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-3-carboxypropanamido]pentanedioic acid

C21H28N4O9S (512.1576918000001)


   

Phe Cys Glu Asp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-sulfanylpropanamido]-4-carboxybutanamido]butanedioic acid

C21H28N4O9S (512.1576918000001)


   

Phe Asp Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]pentanedioic acid

C21H28N4O9S (512.1576918000001)


   

Phe Asp Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Phe Glu Cys Asp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]butanedioic acid

C21H28N4O9S (512.1576918000001)


   

Phe Glu Asp Cys

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-2-carboxy-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}ethyl]carbamoyl}butanoic acid

C21H28N4O9S (512.1576918000001)


   

Met Cys Glu Met

(4S)-4-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Met Cys Met Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]pentanedioic acid

C18H32N4O7S3 (512.1433042)


   

Met Glu Cys Met

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Met Glu Met Cys

(4S)-4-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-{[(1S)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

Met Met Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]pentanedioic acid

C18H32N4O7S3 (512.1433042)


   

Met Met Glu Cys

(4S)-4-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C18H32N4O7S3 (512.1433042)


   

I-Bop

[1S-[1α,2α(Z),3β(1E,3S*),4α]]-7-[3-[3-hydroxy-4-(4-iodophenoxy)-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-5-heptenoic acid

C23H29IO5 (512.1059654)


   

3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside)

(3,4,5-trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate

C23H28O13 (512.1529838)


   

BMS-777607

N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

C25H19ClF2N4O4 (512.1062828)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164000 - c-Met-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

3,3-diethyl-2,2-oxathiacarbocyanine iodide

3,3-diethyl-2,2-oxathiacarbocyanine iodide

C25H25IN2O2 (512.0960699999999)


   

1,1-Diheptyl-4,4-bipyridinium dibromide

1,1-Diheptyl-4,4-bipyridinium dibromide

C24H38Br2N2 (512.1401548)


   

9,10-Anthracenedione,2,2-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-

9,10-Anthracenedione,2,2-(1,3,4-oxadiazole-2,5-diyl)bis[1-amino-

C30H16N4O5 (512.1120645999999)


   

2-CHLORO-N-(2-(PYRIDIN-3-YLAMINO)PYRIMIDIN-5-YL)-5-(3-(TRIFLUOROMETHYL)BENZAMIDO)BENZAMIDE

2-CHLORO-N-(2-(PYRIDIN-3-YLAMINO)PYRIMIDIN-5-YL)-5-(3-(TRIFLUOROMETHYL)BENZAMIDO)BENZAMIDE

C24H16ClF3N6O2 (512.0975302)


   

decamethonium iodide

decamethonium iodide

C16H38I2N2 (512.1124368000001)


   

BIS(3-ISOPROPYL-4-METHOXYPHENYL)IODONIUM TETRAFLUOROBORATE

BIS(3-ISOPROPYL-4-METHOXYPHENYL)IODONIUM TETRAFLUOROBORATE

C20H26BF4IO2 (512.1006644)


   

2,2-methylenebis[6-(o-isocyanatobenzyl)phenyl] diisocyanate

2,2-methylenebis[6-(o-isocyanatobenzyl)phenyl] diisocyanate

C31H20N4O4 (512.148448)


   

2-amino-6-(4-chlorophenyl)sulfanyl-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]pyridine-3,5-dicarbonitrile

2-amino-6-(4-chlorophenyl)sulfanyl-4-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]pyridine-3,5-dicarbonitrile

C22H17ClN6O5S (512.0669622)


   

[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate

[(2R,5R)-3-acetyloxy-5-[[5-cyano-6-(4-methylphenyl)sulfanylpyridine-3-carbonyl]carbamoylamino]oxolan-2-yl]methyl acetate

C24H24N4O7S (512.1365634)


   

Vat Red 31

Vat Red 31

C30H16N4O5 (512.1120645999999)


   

Trovafloxacin Mesylate

Trovafloxacin Mesylate

C21H19F3N4O6S (512.0977350000001)


A methanesulfonate (mesylate) salt prepared from equimolar amounts of trovafloxacin and methanesulfonic acid. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors

   

1,1,2,2-tetrakis(4-nitrophenyl)ethene

1,1,2,2-tetrakis(4-nitrophenyl)ethene

C26H16N4O8 (512.0968096)


   

Uranium tricarbide

Uranium tricarbide

U2C3 (512.101572)


   

Gentiournoside D

Gentiournoside D

C23H28O13 (512.1529838)


   

1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside

1-O-3,4-dimethoxy-5-hydroxyphenyl-(6-O-3,5-dimethoxygalloyl)-beta-D-glucopyranoside

C23H28O13 (512.1529838)


A beta-D-glucoside compound having 4,5-dimethoxybenzene-1,3-diol as the anomeric and 4-hydroxy-3,5-dimethoxybenzoic acid as the substituent at position 6. It has been isolated from the stems of Gordonia chrysandra and exhibits inhibitory effect on nitric oxide production.

   

Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester

Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-pentyl-, 4-carboxy-3-methoxy-5-pentylphenyl ester

C25H30Cl2O7 (512.136849)


   

5-O-{[(1S)-1-carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

5-O-{[(1S)-1-carboxylatoethoxy]phosphinato}-1-deoxy-1-(8-hydroxy-2,4-dioxo-2H-pyrimido[4,5-b]quinolin-3-id-10(4H)-yl)-D-ribitol

C19H19N3O12P-3 (512.0706324)


   

(E)-7-[3-[(E)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

(E)-7-[3-[(E)-3-hydroxy-4-(4-iodophenoxy)but-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

C23H29IO5 (512.1059654)


   

N-[4-[[3-(4-sulfamoylanilino)-2-quinoxalinyl]sulfamoyl]phenyl]acetamide

N-[4-[[3-(4-sulfamoylanilino)-2-quinoxalinyl]sulfamoyl]phenyl]acetamide

C22H20N6O5S2 (512.093655)


   

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide

C23H24N6O4S2 (512.1300384)


   

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide

C23H20N4O4S3 (512.064664)


   

2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide

2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide

C23H24N6O6S (512.1477964)


   

ustilaginoidin A dianion

ustilaginoidin A dianion

C28H16O10-2 (512.0743436)


   

(4-{(E)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

(4-{(E)-[5-(4-chlorophenyl)-6-(ethoxycarbonyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid

C25H21ClN2O6S (512.0808796)


   

21,23-Didehydrophthalocyanine

21,23-Didehydrophthalocyanine

C32H16N8 (512.1497856)


   

[(2->6)-alpha-D-glucosyl-(1->4)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n

[(2->6)-alpha-D-glucosyl-(1->4)-N,O(9)-diacetyl-alpha-D-neuraminosyl]n

C19H30NO15- (512.1615370000001)


   

[(2->6)-alpha-D-glucosyl-(1->4)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n

[(2->6)-alpha-D-glucosyl-(1->4)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n

C19H30NO15- (512.1615370000001)


   

dA-AL-II

dA-AL-II

C26H20N6O6 (512.1444260000001)


   

ustilaginoidin A(2-)

ustilaginoidin A(2-)

C28H16O10 (512.0743436)


A phenolate anion that is the conjugate base of ustilaginoidin A, obtained by deprotonation of the two hydroxy groups at positions 5 and 5. It is the major microspecies at pH 7.3.

   

ST 23:6;O8;S

ST 23:6;O8;S

C23H28O11S (512.1352258000001)


   

bPiDDB

bPiDDB

C24H38Br2N2 (512.1401548)


bPiDDB is a potent nAChR antagonist. bPiDDB potently (IC50=2 nM) inhibits nicotine-evoked striatal dopamine (DA) release through an interaction with α6β2-containing nAChRs[1].

   

GSK-25

GSK-25

C24H16Cl2F2N6O (512.073065)


GSK-25 is a potent, selective and orally bioavailable ROCK1 inhibitor (IC50=7 nM). GSK-25 maintains good selectivity against a panel of 31 kinases (>100 fold), as well as RSK1 and p70S6K (RSK1: IC50=398 nM, p70S6K: IC50=1 μM). GSK-25 inhibits P450 profile (IC50s of 2.5, 5.2, 2.5 μM for CYP2C9, CYP2D6, CYP3A4, respectively)[1].

   

PLX7904

PLX7904

C24H22F2N6O3S (512.1442086000001)


PLX7904 is a potent and selective BRAF inhibitor, with IC50 of appr 5 nM against BRAFV600E in mutant RAS expressing cells.