Exact Mass: 612.2238

Exact Mass Matches: 612.2238

Found 44 metabolites which its exact mass value is equals to given mass value 612.2238, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Novobiocin

(3R,4S,5R,6R)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxo-2H-chromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl carbamate

C31H36N2O11 (612.2319)


Novobiocin is only found in individuals that have used or taken this drug. It is an antibiotic compound derived from Streptomyces niveus. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase, and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) [PubChem]Novobiocin is an aminocoumarin. Aminocoumarins are very potent inhibitors of bacterial DNA gyrase and work by inhibiting the GyrB subunit of the enzyme involved in energy tranduction. Novobiocin as well as the other aminocoumarin antibiotics act as competitive inhibitors of the ATPase reaction catalysed by GyrB. D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic CONFIDENCE standard compound; INTERNAL_ID 1168 CONFIDENCE standard compound; INTERNAL_ID 1167 Novobiocin (Albamycin) is a potent and orally active antibiotic. Novobiocin also is a DNA gyrase inhibitor and a heat shock protein 90 (Hsp90) antagonist. Novobiocin has the potential for the research of highly beta-lactam-resistant pneumococcal infections. Novobiocin shows anti-orthopoxvirus activity[1][2][3][4][6].

   

Protochlorophyllide

(5R)-23-(2-carboxyethyl)-17-ethenyl-12-ethyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-2,25lambda5,26lambda5,27-tetraaza-1-magnesanonacyclo[12.11.1.1^{1,16}.0^{2,9}.0^{3,7}.0^{4,24}.0^{11,26}.0^{21,25}.0^{19,27}]heptacosa-3(7),4(24),8,10,12,14(26),15,17,19,21(25),22-undecaene-25,26-bis(ylium)-1,1-diuide

C35H32MgN4O5 (612.2223)


Protochlorophyllide is found in fruits. Protochlorophyllide is isolated from the seed husks of Cucurbita pepo Chlorophyll itself is bound to proteins and can transfer the absorbed energy in the required direction. Protochlorophyllide, differently, mostly occurs in the free form and under light conditions acts as photosensitizer, forming highly toxic free radicals. Hence plants need an efficient mechanism of regulating the amount of chlorophyll precursor. In angiosperms, this is done at the step of D-Aminolevulinic acid (ALA), one of the intermediate compounds in the biosynthesis pathway. Plants that are fed by ALA accumulate high and toxic levels of protochlorophyllide, so do the mutants with the damaged regulatory system. Despite of numerous past attempts to find the mutant that overacumulates protochlorophyllide under usual conditions, only one such gene (flu) is currently (2009) known. Flu (first described in ) is a nuclear - encoded, chloroplast - located protein that appears containing only protein - protein interaction sites. It is currently not know which other proteins interact through this linker. The regulatory protein is a transmembrane protein that is located in the thylakoid membrane. Later it was discovered that Tigrina mutants in barley, known long time ago, are also mutated in the same gene It is not obvious why no mutants of any other gene were observed; maybe mutations in other proteins, involved into the regulatory chain, are fatal. Flu is a single gene, not a member of the gene family. Protochlorophyllide , more accurate monovinyl protochlorophyllide, is an immediate precursor of chlorophyll a that lacks the phytol side chain of chlorophyll. Unlike chlorophyll, protochlorophyllide is highly fluorescent; mutants that accumulate it glow in red if irradiated by the blue lightIn Angiosperms, the last step, conversion of protochlorophyllide to chlorophyll, is light - dependent and such plants are pale (etiolated) if grown in the darkness. Gymnosperms, algae, and photosynthetic bacteria additionally have another, light - independent enzyme and grow green in the darkness as well. The enzyme that converts protochlorophyllide to chlorophyll is protochlorophyllide reductase , EC 1.3.1.33. There are two structurally unrelated proteins with this activity: the light - dependent and the dark - operative. The light dependent reductase needs light to operate. The dark - operative version is a completely different protein, consisting of three subunits that exhibit significant sequence similarity to the three subunits of nitrogenase, which catalyzes the formation of ammonia from dinitrogen. This enzyme might be evolutionary older but (being similar to nitrogenase) is highly sensitive to free oxygen and does not work if its concentration exceeds about 3 \\%. Hence the alternative, light dependent version needed to evolve

   

13(1)-Oxo-Mg-protoporphyrin IX 13-monomethyl ester

3-[18-(3-Methoxy-3-oxo-propanoyl)-3,7,12,17-tetramethyl-8,13-divinyl-porphyrin-22,24-diid-2-yl]propanoic acid

C35H32MgN4O5 (612.2223)


   

Divinyl chlorophyllide a

3,8-Divinyl chlorophyllide a

C35H32MgN4O5 (612.2223)


   

cyclic RGD

3-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-5-[(diaminomethylidene)amino]pentanamido}acetamido)-3-[(1-carboxy-2-sulfanylethyl)carbamoyl]propanoic acid

C24H36N8O9S (612.2326)


   

ferrileghemoglobin

10,15-diethenyl-5,9,14,19-tetramethyl-4,20-bis(3-oxobutyl)-2λ⁵,22,23λ⁵,25-tetraaza-1-ferraoctacyclo[11.9.1.1¹,⁸.1³,²¹.0²,⁶.0¹⁶,²³.0¹⁸,²².0¹¹,²⁵]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1,1,2,23-pentakis(ylium)

C36H36FeN4O2 (612.2188)


Ferrileghemoglobin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ferrileghemoglobin can be found in a number of food items such as lotus, epazote, wax apple, and yellow bell pepper, which makes ferrileghemoglobin a potential biomarker for the consumption of these food products.

   

ferroleghemoglobin

10,15-diethenyl-5,9,14,19-tetramethyl-4,20-bis(3-oxobutyl)-2λ⁵,22,23λ⁵,25-tetraaza-1-ferraoctacyclo[11.9.1.1¹,⁸.1³,²¹.0²,⁶.0¹⁶,²³.0¹⁸,²².0¹¹,²⁵]pentacosa-2,4,6,8,10,12,14,16(23),17,19,21(24)-undecaene-1,1,2,23-tetrakis(ylium)

C36H36FeN4O2 (612.2188)


Ferroleghemoglobin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Ferroleghemoglobin can be found in a number of food items such as blackcurrant, white mustard, mung bean, and garland chrysanthemum, which makes ferroleghemoglobin a potential biomarker for the consumption of these food products.

   
   

Phoenicanthusine

Phoenicanthusine

C38H32N2O6 (612.226)


   

Divinylprotochlorophyllide; 2,4-Divinylprotochlorophyllide; Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester; 3,8-Divinyl protochlorophyllide a

Divinylprotochlorophyllide; 2,4-Divinylprotochlorophyllide; Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester; 3,8-Divinyl protochlorophyllide a

C35H32MgN4O5+2 (612.2223)


   

11-hydroxybrianthein V

11-hydroxybrianthein V

C30H41ClO11 (612.2337)


   
   
   

Filixic acid ABA

Filixic acid ABA

C32H36O12 (612.2207)


   

oregonoside A

oregonoside A

C32H36O12 (612.2207)


   

FilixicacidABA

2-acetyl-4-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

C32H36O12 (612.2207)


   

Novobiocin

Novobiocin

C31H36N2O11 (612.2319)


D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents A coumarin-derived antibiotic obtained from Streptomyces niveus. C254 - Anti-Infective Agent > C258 - Antibiotic Origin: Microbe, Coumarins Novobiocin (Albamycin) is a potent and orally active antibiotic. Novobiocin also is a DNA gyrase inhibitor and a heat shock protein 90 (Hsp90) antagonist. Novobiocin has the potential for the research of highly beta-lactam-resistant pneumococcal infections. Novobiocin shows anti-orthopoxvirus activity[1][2][3][4][6].

   
   

9-Phenyl-9-(4-phenyl-2-quinazolinyl)-3,3-bi-9H-carbazole

9-Phenyl-9-(4-phenyl-2-quinazolinyl)-3,3-bi-9H-carbazole

C44H28N4 (612.2314)


   

Ralimetinib Mesylate

Ralimetinib Mesylate

C26H37FN6O6S2 (612.22)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Ispinesib mesylate

Ispinesib mesylate

C31H37ClN4O5S (612.2173)


C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent

   

magnesium;3-[(11E,12R,21S,22S)-16-ethenyl-11-ethylidene-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13(25),14,16,18,20(23)-decaen-22-yl]propanoate

magnesium;3-[(11E,12R,21S,22S)-16-ethenyl-11-ethylidene-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,13(25),14,16,18,20(23)-decaen-22-yl]propanoate

C35H32MgN4O5-2 (612.2223)


   

magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate

magnesium;3-[(21S,22S)-16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),3,5(26),8,10(25),11,13,15,17,19-undecaen-22-yl]propanoate

C35H32MgN4O5-2 (612.2223)


   
   
   

H-DL-Tyr-DL-Arg-Gly-DL-Asp-DL-Cys-OH

H-DL-Tyr-DL-Arg-Gly-DL-Asp-DL-Cys-OH

C24H36N8O9S (612.2326)


   

bacteriochlorophyllide g(2-)

bacteriochlorophyllide g(2-)

C35H32MgN4O5 (612.2223)


A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide g via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

{[(3r,4s,5r,6r)-6-{[3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-amido)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy}-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

{[(3r,4s,5r,6r)-6-{[3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-amido)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy}-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C31H36N2O11 (612.2319)


   

2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate

2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate

C30H41ClO11 (612.2337)


   

(1r,2r,3r,5r,7s,8r,11r,12s,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate

(1r,2r,3r,5r,7s,8r,11r,12s,13r,14s,15r,16r,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate

C30H41ClO11 (612.2337)


   

[(6-{[3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-amido)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy}-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl)oxy]methanimidic acid

[(6-{[3-(2,2-dimethyl-3,4-dihydro-1-benzopyran-6-amido)-4-hydroxy-8-methyl-2-oxochromen-7-yl]oxy}-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl)oxy]methanimidic acid

C31H36N2O11 (612.2319)


   

(6-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate

(6-{[1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl benzoate

C32H36O12 (612.2207)


   

{[5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

{[5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C31H36N2O11 (612.2319)


   

n-(4-hydroxy-7-{[3-hydroxy-4-(c-hydroxycarbonimidoyloxy)-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-8-methyl-2-oxochromen-3-yl)-2-isopropyl-2,3-dihydro-1-benzofuran-5-carboximidic acid

n-(4-hydroxy-7-{[3-hydroxy-4-(c-hydroxycarbonimidoyloxy)-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-8-methyl-2-oxochromen-3-yl)-2-isopropyl-2,3-dihydro-1-benzofuran-5-carboximidic acid

C31H36N2O11 (612.2319)


   

{[(3r,4s,5r,6s)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

{[(3r,4s,5r,6s)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C31H36N2O11 (612.2319)


   

{[(3r,4s,5r,6r)-5-hydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-4-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

{[(3r,4s,5r,6r)-5-hydroxy-6-({2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-4-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C31H36N2O11 (612.2319)


   

{[(3r,4s,5r)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

{[(3r,4s,5r)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C31H36N2O11 (612.2319)


   

(1r,2s,3r,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate

(1r,2s,3r,5r,7s,8r,11r,12r,13r,14s,15r,16s,17s,19r)-2,13-bis(acetyloxy)-7-chloro-12-hydroxy-1,11,15-trimethyl-6-methylidene-10-oxo-4,9,18-trioxapentacyclo[12.5.0.0³,⁵.0⁸,¹².0¹⁷,¹⁹]nonadecan-16-yl hexanoate

C30H41ClO11 (612.2337)


   

n-(4-hydroxy-7-{[(2r,3r,4s,5r)-3-hydroxy-4-(c-hydroxycarbonimidoyloxy)-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-8-methyl-2-oxochromen-3-yl)-2-isopropyl-2,3-dihydro-1-benzofuran-5-carboximidic acid

n-(4-hydroxy-7-{[(2r,3r,4s,5r)-3-hydroxy-4-(c-hydroxycarbonimidoyloxy)-5-methoxy-6,6-dimethyloxan-2-yl]oxy}-8-methyl-2-oxochromen-3-yl)-2-isopropyl-2,3-dihydro-1-benzofuran-5-carboximidic acid

C31H36N2O11 (612.2319)


   

[(2r,3s,4s,5r,6r)-6-{[(3s)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

[(2r,3s,4s,5r,6r)-6-{[(3s)-1,7-bis(3,4-dihydroxyphenyl)-5-oxoheptan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

C32H36O12 (612.2207)


   

(2s,17s)-8,9,13,14-tetramethoxy-3-methyl-24,26-dioxa-3,18-diazadecacyclo[19.13.2.1⁴,¹².0²,¹⁷.0⁶,¹¹.0¹⁸,³⁵.0²³,²⁷.0²⁸,³⁶.0²⁹,³⁴.0¹⁶,³⁷]heptatriaconta-1(35),4,6(11),7,9,12(37),13,15,21,23(27),28(36),29(34),30,32-tetradecaene

(2s,17s)-8,9,13,14-tetramethoxy-3-methyl-24,26-dioxa-3,18-diazadecacyclo[19.13.2.1⁴,¹².0²,¹⁷.0⁶,¹¹.0¹⁸,³⁵.0²³,²⁷.0²⁸,³⁶.0²⁹,³⁴.0¹⁶,³⁷]heptatriaconta-1(35),4,6(11),7,9,12(37),13,15,21,23(27),28(36),29(34),30,32-tetradecaene

C38H32N2O6 (612.226)


   

{[(3r,4r,5s,6r)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

{[(3r,4r,5s,6r)-5-hydroxy-6-({4-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido]-8-methyl-2-oxochromen-7-yl}oxy)-3-methoxy-2,2-dimethyloxan-4-yl]oxy}methanimidic acid

C31H36N2O11 (612.2319)


   

2-acetyl-6-({3-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

2-acetyl-6-({3-[(5-acetyl-2,4-dihydroxy-3,3-dimethyl-6-oxocyclohexa-1,4-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one

C32H36O12 (612.2207)