Exact Mass: 453.1583

Exact Mass Matches: 453.1583

Found 430 metabolites which its exact mass value is equals to given mass value 453.1583, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

3-Oxogentamicin A2

C17H31N3O11 (453.1958)

Danofloxacin Mesylate

C20H24FN3O6S (453.137)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic

O-Methyl-4-[(2',3',4'-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate

(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-(4-{[(methoxycarbonyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate

C21H27NO10 (453.1635)

O-Methyl-4-[(2,3,4-tri-O-acetyl-alpha-L-rhamnosyloxy)benzyl]carbamate is a fully acetylated carbamate glycoside. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers differ in the orientation of the NH group with respect to the carbonyl group.

Endoxifen sulfate

{4-[(1E)-1-{4-[2-(methylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenyl}oxidanesulfonic acid

C25H27NO5S (453.161)

Endoxifen sulfate is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)

k-252b

16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1¹⁵,¹⁸.0²,⁶.0⁷,²⁷.0⁸,¹³.0¹⁹,²⁶.0²⁰,²⁵]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid

C26H19N3O5 (453.1325)

2-(3-(2-Aminoethyl)-1h-indol-5-yloxy)acetyl-l-tyrosyl-glycinamide

2-[(2-{[3-(2-aminoethyl)-1H-indol-5-yl]oxy}-1-hydroxyethylidene)amino]-N-[(C-hydroxycarbonimidoyl)methyl]-3-(4-hydroxyphenyl)propanimidate

C23H27N5O5 (453.2012)

7-Hydroxyfluphenazine

10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-8-(trifluoromethyl)-10H-phenothiazin-3-ol

C22H26F3N3O2S (453.1698)

3-Amino-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-Pyridin-3-Ylpyrazine-2-Carboxamide

3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(pyridin-3-yl)pyrazine-2-carboxamide

C21H23N7O3S (453.1583)

Fluphenazine sulfoxide

10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-2-(trifluoromethyl)-10H-5lambda4-phenothiazin-5-one

C22H26F3N3O2S (453.1698)

Benzyloxycarbonyl-Val-Ala-Asp-fluoromethylketone

3-({2-[(2-{[(benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene)amino]-1-hydroxypropylidene}amino)-5-fluoro-4-oxopentanoate

C21H28FN3O7 (453.1911)

A natural product found in Cacospongia mycofijiensis.

K252b

16-Hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid

C26H19N3O5 (453.1325)

D004791 - Enzyme Inhibitors

Maremycin E

C23H23N3O5S (453.1358)

Maybridge2_000433

C23H21F6N3 (453.164)

Oprea1_381832

C24H24ClN3O2S (453.1278)

CHEMBL3747505

C26H23N5OS (453.1623)

EC-70124

C26H19N3O5 (453.1325)

Toyocamycin 5-alpha-D-glucopyranose

C18H23N5O9 (453.1496)

herdmanine B

C22H23N5O6 (453.1648)

A natural product found in Herdmania momus.

SCHEMBL22765431

C27H23N3O4 (453.1688)

parvifloranine A

C25H27NO7 (453.1787)

9-deoxy-8,8-dihydroxyherbicidin B

C18H23N5O9 (453.1496)

Cyanocycline D

C23H27N5O5 (453.2012)

Fluphenazine sulfoxide

C22H26F3N3O2S (453.1698)

2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]acetic acid

C19H27N5O8 (453.186)

7-Hydroxyfluphenazine

C22H26F3N3O2S (453.1698)

Fluphenazine (further oxidation of piperazine ring)

C22H26F3N3O2S (453.1698)

1-isobutanol

Netarsudil

C28H27N3O3 (453.2052)

S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics C78283 - Agent Affecting Organs of Special Senses > C29705 - Anti-glaucoma Agent

Benzyloxycarbonyl-Val-Ala-Asp-fluoromethylketone

C21H28FN3O7 (453.1911)

3-Azageranylgeranyl diphosphate

C19H37NO7P2 (453.2045)

Vodobatinib

C27H20ClN3O2 (453.1244)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C155700 - BCR-ABL Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

Oclacitinib maleate

C19H27N5O6S (453.1682)

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor

Axitirome

C25H24FNO6 (453.1588)

C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent

Ethoheptazine citrate

C22H31NO9 (453.1999)

C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist

LpxH-IN-AZ1

C21H22F3N3O3S (453.1334)

SIS3 free base

C28H27N3O3 (453.2052)

N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide

C24H24ClN3O4 (453.1455)

N-[5-(1,1-Dioxidoisothiazolidin-2-YL)-1H-indazol-3-YL]-2-(4-piperidin-1-ylphenyl)acetamide

C23H27N5O3S (453.1835)

(2s,3s)-3-{3-[2-Chloro-4-(Methylsulfonyl)phenyl]-1,2,4-Oxadiazol-5-Yl}-1-Cyclopentylidene-4-Cyclopropyl-1-Fluorobutan-2-Amine

C21H25ClFN3O3S (453.1289)

[4,5-Diacetyloxy-6-[4-[(methoxycarbonylamino)methyl]phenoxy]-2-methyloxan-3-yl] acetate

C21H27NO10 (453.1635)

2-(3-(2-Aminoethyl)-1h-indol-5-yloxy)acetyl-l-tyrosyl-glycinamide

2-[(2-{[3-(2-aminoethyl)-1H-indol-5-yl]oxy}-1-hydroxyethylidene)amino]-N-[(C-hydroxycarbonimidoyl)methyl]-3-(4-hydroxyphenyl)propanimidate

C23H27N5O5 (453.2012)

Benzyloxycarbonyl-Val-Ala-Asp-fluoromethylketone

3-({2-[(2-{[(benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-methylbutylidene)amino]-1-hydroxypropylidene}amino)-5-fluoro-4-oxopentanoate

C21H28FN3O7 (453.1911)

3-Demethylstaurosporinium(1+)

C27H25N4O3+ (453.1927)

Conjugate acid of 3-demethylstaurosporine.

Farinamycin

C21H19N5O7 (453.1284)

A natural product found in Streptomyces griseus.

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-2-anthracenecarboxamide

C26H19N3O5 (453.1325)

4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one

C24H27N3O4S (453.1722)

3-[[2-[[4-Ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester

C23H27N5O3S (453.1835)

3,5-Dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester

C23H27N5O5 (453.2012)

Ethyl 4-oxo-4-[(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)amino]butanoate

C27H23N3O4 (453.1688)

N-[[(2R,3R)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide

C25H28FN3O4 (453.2064)

N-benzoylampicillin

C23H23N3O5S (453.1358)

A penicillin that is the N-benzoyl derivative of ampicillin.

Methotrexate(1-)

C20H21N8O5- (453.1635)

[2-Methyl-1-(2-phenylethyl)-3-imidazo[1,2-a]pyridin-4-iumyl]-diphenyl-sulfanylidenephosphorane

C28H26N2PS+ (453.1554)

CID 23724790

Methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-2-yl]benzoate

C24H23NO8 (453.1424)

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-[(2-methyl-3-oxo-1-phenylpropyl)sulfanyl]ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C20H27N3O7S (453.157)

4,7-DI(4-Ethoxyphenyl)-6-phenyl-1,2,5-thiadiazolo(3,4-C)pyridine

C27H23N3O2S (453.1511)

AZD2858

3-Amino-6-{4-[(4-Methylpiperazin-1-Yl)sulfonyl]phenyl}-N-Pyridin-3-Ylpyrazine-2-Carboxamide

C21H23N7O3S (453.1583)

Endoxifen sulfate

C25H27NO5S (453.161)

ST 20:3;O7;Gly

C22H31NO9 (453.1999)

ST 19:5;O5;Tau

C21H27NO8S (453.1457)

ST 20:4;O4;Tau

C22H31NO7S (453.1821)

BI-6901

C23H27N5O3S (453.1835)

BI 6901 is a potent, selective CCR10 antagonist (pIC50=9.0). BI 6901 shows high selectivity over other GPCRs, including a number of other chemokine receptors. BI 6901 is efficacious in the murine DNFB model of contact hypersensitivity and can be used for inflammation research[1].

Phe-Pro-Ala-pNA

C23H27N5O5 (453.2012)

Phe-Pro-Ala-pNA is a chromogenic substrate of tripeptidyl peptidase. Phe-Pro-Ala-pNA can be used to test tripeptidyl peptidase activity[1].

SB-612111 (hydrochloride)

C24H30Cl3NO (453.1393)

SB-612111 hydrochloride hydrochloride is a novel and potent opiate receptor-like orphan receptor (ORL-1) antagonist with a high affinity for hORL-1 (Ki=0.33 nM). SB-612111 hydrochloride exhibits selectivity for μ-,?κ- and?δ-receptors with Ki values of?57.6 nM, 160.5 nM and 2109 nM, respecticely. SB-612111 hydrochloride effectively antagonizes the pronociceptive action of Nociceptin (HY-P0183) in an acute pain model[1].

Temuterkib

C22H27N7O2S (453.1947)

Temuterkib (LY3214996) is a highly selective inhibitor of ERK1 and ERK2, with IC50 of 5 nM for both enzymes in biochemical assays. Temuterkib potently inhibits cellular p-RSK1 in BRAF and RAS mutant cancer cell lines. Temuterkib shows potent antitumor activities in cancer models with MAPK pathway alterations.

(5e)-6-{2-[1-({2-carboxy-2-[(1-hydroxyethylidene)amino]ethyl}disulfanyl)butyl]-4-methylphenyl}hex-5-enoic acid

C22H31NO5S2 (453.1644)

methyl 5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C18H23N5O9 (453.1496)

methyl (1s,3s,4r,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C18H23N5O9 (453.1496)

(1r,3r)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.0³,¹⁶.0⁶,¹⁵.0⁷,¹²]octadeca-7(12),9-diene-4,18-dicarbonitrile

C23H27N5O5 (453.2012)

4-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),17,20(27),21(26),22,24-decaene-3,18-diol

C27H23N3O4 (453.1688)

(1r,3r,6s,13s,15s,16s,18s)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.0³,¹⁶.0⁶,¹⁵.0⁷,¹²]octadeca-7(12),9-diene-4,18-dicarbonitrile

(1r,3r,6s,13s,15s,16s,18s)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.0³,¹⁶.0⁶,¹⁵.0⁷,¹²]octadeca-7(12),9-diene-4,18-dicarbonitrile

C23H27N5O5 (453.2012)

8,17-dihydroxy-17-(2-hydroxy-4,5-dihydro-1,3-thiazol-4-yl)-5,12-dimethyl-2,16-dioxabicyclo[13.3.1]nonadeca-4,9-diene-3,11-dione

C22H31NO7S (453.1821)

methyl (1r,3r,4s,5r,7r,9r,11s,12s,13s)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C18H23N5O9 (453.1496)

2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-3-en-1-yl)-1-oxo-3h-isoindol-2-yl]-3-phenylpropanoic acid

C25H27NO7 (453.1787)

(2r,4r,5s,6s)-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol

(2r,4r,5s,6s)-5-methoxy-6-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol

C27H23N3O4 (453.1688)

(5s,6s,6as)-6a-hydroxy-1',5-dimethyl-2-[(methylsulfanyl)methyl]-2',3-dioxo-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-9-carboxylic acid

C23H23N3O5S (453.1358)

methyl (1s,3s,4r,5r,7r,9r,11s,12s,13r)-5-(6-aminopurin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C18H23N5O9 (453.1496)

(2s,3r,4r,6r)-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaene-4,16-diol

(1r,3r,4r,6s,13s,15s,16s,18s)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.0³,¹⁶.0⁶,¹⁵.0⁷,¹²]octadeca-7(12),9-diene-4,18-dicarbonitrile

(1r,3r,4r,6s,13s,15s,16s,18s)-5-(2-hydroxyethyl)-13-(hydroxymethyl)-10-methoxy-9,17-dimethyl-8,11-dioxo-5,14,17-triazapentacyclo[12.3.1.0³,¹⁶.0⁶,¹⁵.0⁷,¹²]octadeca-7(12),9-diene-4,18-dicarbonitrile

C23H27N5O5 (453.2012)

methyl (1r,3s,4r,5r,7r,9r,11s)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.0³,⁷]tridecane-11-carboxylate

C18H23N5O9 (453.1496)

(3r,4r)-2-amino-5-{[5-(4,8-dihydroxyquinazolin-2-yl)-2-hydroxyphenyl]amino}-3,4-dihydroxy-6-oxocyclohex-1-ene-1-carboximidic acid

C21H19N5O7 (453.1284)

2-[4,6-dihydroxy-5-(6-methoxy-3-methyl-6-oxohex-2-en-1-yl)-1-oxo-3h-isoindol-2-yl]-3-phenylpropanoic acid

C25H27NO7 (453.1787)

n-[(4-{[3,4,5-tris(acetyloxy)-6-methyloxan-2-yl]oxy}phenyl)methyl]methoxycarboximidic acid

C21H27NO10 (453.1635)