Exact Mass: 612.2318986

Exact Mass Matches: 612.2318986

Found 222 metabolites which its exact mass value is equals to given mass value 612.2318986, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 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 (612.2318986)

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 (612.2223081999999)

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 (612.2223081999999)

Divinyl chlorophyllide a

3,8-Divinyl chlorophyllide a

C35H32MgN4O5 (612.2223081999999)

Neohesperidin dihydrochalcone

1-(4-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,6-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

C28H36O15 (612.2054106)

Neohesperidin dihydrochalcone is found in sweet orange. Intensely sweet, 612 times more sweet than sucrose. Acceptable daily intake: 5 mg/kg (1987). Neohesperidin dihydrochalcone is a permitted in EU at low concs. (=10 ppm) for certain applications, e.g. low-alcohol beer. Generally recognised as safe (GRAS) in the USA. Practical use limited by slow development of taste sensation and peculiar aftertaste Neohesperidin dihydrochalcone, sometimes abbreviated to neohesperidin DC or simply NHDC, is an artificial sweetener derived from citrus. The European Union approved NHDCs use as a sweetener in 1994. It has not been approved as a sweetener in the United States. It is sometimes said that NHDC is considered a Generally Recognized as Safe flavour enhancer by the Flavour and Extract Manufacturers Association, which is a trade group with no legal standing. NHDC has never appeared on the FDAs GRAS listing Intensely sweet, 612 times more sweet than sucrose. ADI 5 mg/kg (1987). Permitted in EU at low concs. (=10 ppm) for certain applications, e.g. low-alcohol beer. Generally recognised as safe (GRAS) in the USA. Practical use limited by slow development of taste sensation and peculiar aftertaste Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener.

[D-Met2, Pro5]-enkephalinamide

1-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido}acetamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

C30H40N6O6S (612.27299)

Benzyloxycarbonyl-phenylalanylarginine-4-methylcoumaryl-7-amide

N-(2-{[(benzyloxy)(hydroxy)methylidene]amino}-3-phenylpropanoyl)-5-carbamimidamido-2-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]pentanimidate

C33H36N6O6 (612.2696195999999)

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 (612.2325846)

N-(5-(5-(2,4-Dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl)-2,4-dimethoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-[5-(5-{2,4-dihydroxy-1,3,8-triazaspiro[4.5]deca-1,3-dien-8-yl}pentanoyl)-2,4-dimethoxyphenyl]-4-(trifluoromethyl)benzene-1-sulphonamide

C27H31F3N4O7S (612.1865452)

D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

Z-Phe-arg-amc

2-[(2-{[(benzyloxy)(hydroxy)methylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]-5-carbamimidamido-N-(4-methyl-2-oxo-2H-chromen-7-yl)pentanimidate

C33H36N6O6 (612.2696195999999)

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 (612.2187506)

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

C36H36FeN4O2 (612.2187506)

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.

Sinensal-alpha

(2R)-7-hydroxy-2-(4-methoxyphenyl)-5-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one; (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol

C28H36O15 (612.2054106)

Neohesperidin_dihydrochalcone

InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

C28H36O15 (612.2054106)

Neohesperidin dihydrochalcone appears as off-white crystals or powder. Insoluble in water. (NTP, 1992) Neohesperidin dihydrochalcone is a member of the dihydrochalcones that is 3,2,4,6-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4 via glycosidic linkage. It is found in sweet orange. It has a role as an environmental contaminant, a xenobiotic, a plant metabolite and a sweetening agent. It is a neohesperidoside, a disaccharide derivative and a member of dihydrochalcones. Neohesperidin dihydrochalcone is a natural product found in Vicia faba, Citrus deliciosa, and Citrus reticulata with data available. A member of the dihydrochalcones that is 3,2,4,6-tetrahydroxy-4-methoxydihydrochalcone attached to a neohesperidosyl residue at position 4 via glycosidic linkage. It is found in sweet orange. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener. Neohesperidin dihydrochalcone is a synthetic glycoside chalcone, is added to various foods and beverages as a low caloric artificial sweetener.

Karajinone B

C33H40O11 (612.257049)

Milolide J

C29H40O14 (612.241794)

2,3,9-Triacetoxy-4-(benzoyloxy)-7-ethenyl-1,2,3,4,4a,4b,6,7,8a,9,10,10a-dodecahydro-8a-hydroxy-1,1,4a,7-tetramethylphenanthrene-5,8-dione

C33H40O11 (612.257049)

[Chemical] Source; sea squirt H-antigen (limited periodate oxide)

GalNAcFucGlcNAcGA-II

coumabiocin B

C31H36N2O11 (612.2318986)

3,4,5-trimethoxyphenyl 1-O-beta-D-[5-O-(4-methoxybenzoyl)]apiofuranosyl-(1->6)-beta-D-glucopyranoside|3,4,5-Trimethoxyphenyl 1-O-??-D-[5-O-(4-methoxybenzoyl)]-apiofuranosyl-(1鈥樏傗垎6)-??-D-glucopyranoside

C30H44O13 (612.2781774)

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 (612.2206656000001)

Neohesperidin dihydrochalcone

His Phe Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C33H36N6O6 (612.2696195999999)

His Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid