Exact Mass: 547.2604

Exact Mass Matches: 547.2604

Found 500 metabolites which its exact mass value is equals to given mass value 547.2604, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Ergosine

.alpha.-Ergosine

C30H37N5O5 (547.2795)

An ergot alkaloid isolated from the fungus Epichloe typhina. CONFIDENCE Claviceps purpurea sclerotia

Darunavir

[(S)-3-[(4-Amino-benzenesulphonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3as,6ar)-(hexahydro-furo[2,3-b]furan-3-yl) ester

C27H37N3O7S (547.2352)

Darunavir is only found in individuals that have used or taken this drug. It is a protease inhibitor used to treat HIV. It acts on the HIV aspartyl protease which the virus needs to cleave the HIV polyprotein into its functional fragments.Darunavir is a HIV protease inhibitor which prevents HIV replication by binding to the enzymes active site, thereby preventing the dimerization and the catalytic activity of the HIV-1 protease. Darunavir selectively inhibits the cleavage of HIV encoded Gag-Pol polyproteins in virus-infected cells, which prevents the formation of mature infectious virus particles. Structual analyses suggests that the close contact that darunavir has with the main chains of the protease active site amino acids (Asp-29 and Asp-30) is an important contributing factor to its potency and wide spectrum of activity against multi-protease inhibitor resistant HIV-1 variants. Darunavir can also adapt to the changing shape of a protease enzyme because of its molecular flexibility. Darunavir is known to bind to two distinct sites on the enzyme: the active site cavity and the surface of one of the flexible flaps in the protease dimer. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Ergosine

N-[2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide

C30H37N5O5 (547.2795)

Darunavir

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)(4-aminobenzene)sulfonamido]-1-phenylbutan-2-yl]carbamate

C27H37N3O7S (547.2352)

J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D000084762 - Viral Protease Inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents COVID info from DrugBank, clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2179 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3016

Cys Asn Arg Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid

C19H37N11O6S (547.2649)

Cys Arg Asn Arg

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-5-carbamimidamidopentanoic acid

C19H37N11O6S (547.2649)

Cys Arg Arg Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanoic acid

C19H37N11O6S (547.2649)

Asp Asp Ile Trp

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid

C25H33N5O9 (547.2278)

Asp Asp Leu Trp

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}propanoic acid

C25H33N5O9 (547.2278)

Asp Asp Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C25H33N5O9 (547.2278)

Asp Asp Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C25H33N5O9 (547.2278)

Asp Glu Val Trp

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}butanoic acid

C25H33N5O9 (547.2278)

Asp Glu Trp Val

(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H33N5O9 (547.2278)

Asp Ile Asp Trp

(3S)-3-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C25H33N5O9 (547.2278)

Asp Ile Trp Asp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C25H33N5O9 (547.2278)

Asp Leu Asp Trp

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}propanoic acid

C25H33N5O9 (547.2278)

Asp Leu Trp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]butanedioic acid

C25H33N5O9 (547.2278)

Asp Val Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H33N5O9 (547.2278)

Asp Val Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H33N5O9 (547.2278)

Asp Trp Asp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-3-methylpentanoic acid

C25H33N5O9 (547.2278)

Asp Trp Asp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-carboxypropanamido]-4-methylpentanoic acid

C25H33N5O9 (547.2278)

Asp Trp Glu Val

(4S)-4-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-methylpropyl]carbamoyl}butanoic acid

C25H33N5O9 (547.2278)

Asp Trp Ile Asp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]butanedioic acid

C25H33N5O9 (547.2278)

Asp Trp Leu Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]butanedioic acid

C25H33N5O9 (547.2278)

Asp Trp Val Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]pentanedioic acid

C25H33N5O9 (547.2278)

Glu Phe Pro Arg

(4S)-4-amino-4-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}butanoic acid