Exact Mass: 704.3805

Exact Mass Matches: 704.3805

Found 48 metabolites which its exact mass value is equals to given mass value 704.3805, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Atazanavir

methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate

C38H52N6O7 (704.3897)


Atazanavir (formerly known as BMS-232632) is an antiretroviral drug of the protease inhibitor (PI) class. Like other antiretrovirals, it is used to treat infection of human immunodeficiency virus (HIV). Atazanavir is distinguished from other PIs in that it can be given once-daily (rather than requiring multiple doses per day) and has lesser effects on the patients lipid profile (the amounts of cholesterol and other fatty substances in the blood). Like other protease inhibitors, it is used only in combination with other HIV medications. The U.S. Food and Drug Administration (FDA) approved atazanavir on June 20, 2003. [Wikipedia] 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 C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials 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

   

Carbamidocyclophane D

Carbamidocyclophane D

C38H57ClN2O8 (704.3803)


   

Exophillic acid

Exophillic acid

C38H56O12 (704.3772)


   

datiscoside B

datiscoside B

C38H56O12 (704.3772)


   

cucurbitacin E glucoside

cucurbitacin E glucoside

C38H56O12 (704.3772)


   

Atazanavir

methyl N-[(1S)-1-{N-[(2S,3S)-2-hydroxy-3-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethylbutanamido]-4-phenylbutyl]-N-{[4-(pyridin-2-yl)phenyl]methyl}hydrazinecarbonyl}-2,2-dimethylpropyl]carbamate

C38H52N6O7 (704.3897)


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 C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials 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 2148 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3012

   

N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C37H51F3N4O6 (704.3761)


   

N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C37H51F3N4O6 (704.3761)


   

N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

N-[[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide

C37H51F3N4O6 (704.3761)


   

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

[2-hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] (14Z,17Z,20Z,23Z)-hexacosa-14,17,20,23-tetraenoate

C35H61O12P (704.39)


   

Smgdg O-8:0_18:4

Smgdg O-8:0_18:4

C35H60O12S (704.3805)


   

Smgdg O-22:4_4:0

Smgdg O-22:4_4:0

C35H60O12S (704.3805)


   

Smgdg O-24:4_2:0

Smgdg O-24:4_2:0

C35H60O12S (704.3805)


   

Smgdg O-20:4_6:0

Smgdg O-20:4_6:0

C35H60O12S (704.3805)


   

Smgdg O-18:4_8:0

Smgdg O-18:4_8:0

C35H60O12S (704.3805)


   

Smgdg O-16:4_10:0

Smgdg O-16:4_10:0

C35H60O12S (704.3805)


   

Smgdg O-10:0_16:4

Smgdg O-10:0_16:4

C35H60O12S (704.3805)


   

[1-decoxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

[1-decoxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate

C35H61O12P (704.39)


   

[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate

[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoxy]-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate

C35H61O12P (704.39)


   

methyl N-[(2R)-1-[2-[(2S,3R)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

methyl N-[(2R)-1-[2-[(2S,3R)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

C38H52N6O7 (704.3897)


   

[(2S,3S,6S)-6-[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-[(E)-dec-4-enoyl]oxy-2-[(4E,7E)-hexadeca-4,7-dienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C35H60O12S (704.3805)


   

[(2S,3S,6S)-6-[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

[(2S,3S,6S)-6-[3-decanoyloxy-2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxypropoxy]-3,4,5-trihydroxyoxan-2-yl]methanesulfonic acid

C35H60O12S (704.3805)


   
   
   
   

PG O-29:5;O3

PG O-29:5;O3

C35H61O12P (704.39)


   

PG P-18:1/11:3;O3

PG P-18:1/11:3;O3

C35H61O12P (704.39)


   

PG 16:0/13:4;O2

PG 16:0/13:4;O2

C35H61O12P (704.39)


   

PG 16:1/13:3;O2

PG 16:1/13:3;O2

C35H61O12P (704.39)


   

PG 20:0/9:4;O2

PG 20:0/9:4;O2

C35H61O12P (704.39)


   

PG 20:3/9:1;O2

PG 20:3/9:1;O2

C35H61O12P (704.39)


   

PG 22:1/7:3;O2

PG 22:1/7:3;O2

C35H61O12P (704.39)


   

PG 22:2/7:2;O2

PG 22:2/7:2;O2

C35H61O12P (704.39)


   
   
   

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

(2s,3s,4as,5r,8as)-5-[(3e)-5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[(2r,3s,4r,5s)-3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl (2z)-2-methylbut-2-enoate

C38H56O12 (704.3772)


   

{[(2r,3s,8s,13r,14s,19s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

{[(2r,3s,8s,13r,14s,19s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

C38H57ClN2O8 (704.3803)


   

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

C38H56O12 (704.3772)


   

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

2-hydroxy-4-(4-hydroxy-2-nonyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoyloxy)-6-nonylbenzoic acid

C38H56O12 (704.3772)


   

9-formyl-2-({[6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

9-formyl-2-({[6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

C38H56O12 (704.3772)


   

{[(2r,3s,8r,13r,14s,19s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

{[(2r,3s,8r,13r,14s,19s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

C38H57ClN2O8 (704.3803)


   

(1r,2s,4r,5r,8r,9s,11r)-9-formyl-2-({[(2s,5r,6r,7r,9r,10r)-6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

(1r,2s,4r,5r,8r,9s,11r)-9-formyl-2-({[(2s,5r,6r,7r,9r,10r)-6-hydroxy-10-methoxy-2-(8-methoxy-8-oxooctyl)-9-methyl-3-oxo-1,4,8-trioxaspiro[4.5]decan-7-yl]oxy}methyl)-13-isopropyl-5-methyltetracyclo[7.4.0.0²,¹¹.0⁴,⁸]tridec-12-ene-1-carboxylic acid

C38H56O12 (704.3772)


   

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

5-[5-(acetyloxy)-3-methylpent-3-en-1-yl]-1,1,4a,6-tetramethyl-3-{[3,4,5-tris(acetyloxy)oxan-2-yl]oxy}-2,3,4,5,8,8a-hexahydronaphthalen-2-yl 2-methylbut-2-enoate

C38H56O12 (704.3772)


   

{[8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

{[8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

C38H57ClN2O8 (704.3803)


   

(2r,3r,5s,6s)-2-{[(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r,4e)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

(2r,3r,5s,6s)-2-{[(1r,2r,3as,3bs,7s,8s,9ar,9br,11ar)-1-[(2r,4e)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

C38H56O12 (704.3772)


   

{[(2r,3s,13r,14s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

{[(2r,3s,13r,14s)-8-butyl-19-(4-chlorobutyl)-10,21,24,26-tetrahydroxy-13-(c-hydroxycarbonimidoyloxy)-3,14-dimethyltricyclo[18.2.2.2⁹,¹²]hexacosa-1(22),9,11,20,23,25-hexaen-2-yl]oxy}methanimidic acid

C38H57ClN2O8 (704.3803)


   

2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

2-{[1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-7,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-10-oxo-1h,2h,3h,3bh,4h,7h,8h,9h,9ah,11h-cyclopenta[a]phenanthren-2-yl]oxy}-5-hydroxy-6-methyl-4-oxooxan-3-yl acetate

C38H56O12 (704.3772)