Exact Mass: 616.2209402
Exact Mass Matches: 616.2209402
Found 126 metabolites which its exact mass value is equals to given mass value 616.2209402,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Heme
C34H32FeN4O4 (616.1772821999999)
Heme is the color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins. A heme or haem is a prosthetic group that consists of an iron atom contained in the center of a large heterocyclic organic ring called a porphyrin. Not all porphyrins contain iron, but a substantial fraction of porphyrin-containing metalloproteins have heme as their prosthetic subunit; these are known as hemoproteins. Protoheme ix, also known as ferroprotoheme or [fe(ppix)], is a member of the class of compounds known as metalloporphyrins. Metalloporphyrins are polycyclic compounds containing a porphyrin moiety and a metal atom. Protoheme ix can be found in a number of food items such as orange mint, cucumber, deerberry, and pear, which makes protoheme ix a potential biomarker for the consumption of these food products. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2]. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2].
trans-delta-Viniferin 3'-glucoside
trans-delta-Viniferin 3-glucoside is found in alcoholic beverages. trans-delta-Viniferin 3-glucoside is a constituent of the cell cultures of Vitis vinifera (wine grape) Constituent of the cell cultures of Vitis vinifera (wine grape). trans-delta-Viniferin 3-glucoside is found in alcoholic beverages and fruits.
trans-delta-Viniferin 3'-glucoside
trans-delta-Viniferin 3-glucoside is found in alcoholic beverages. trans-delta-Viniferin 3-glucoside is a constituent of the cell cultures of Vitis vinifera (wine grape) Constituent of the cell cultures of Vitis vinifera (wine grape). trans-delta-Viniferin 3-glucoside is found in alcoholic beverages and fruits.
Pallidol 3-glucoside
Pallidol 3-glucoside is found in alcoholic beverages. Pallidol 3-glucoside is isolated from Riesling wine. Isolated from Riesling wine. Pallidol 3-glucoside is found in alcoholic beverages.
Dimoracin
Dimoracin is found in fruits. Phytoalexin from Morus alba (white mulberry) infected with Fusarium solan
Candesartan N2-glucuronide
Candesartan N2-glucuronide is a metabolite of Candesartan. Candesartan n2-glucuronide belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2.
Candesartan O-glucuronide
Candesartan O-glucuronide is a metabolite of candesartan. Candesartan is an angiotensin II receptor antagonist used mainly for the treatment of hypertension. The prodrug candesartan cilexetil is marketed by AstraZeneca and Takeda Pharmaceuticals, commonly under the trade names Blopress, Atacand, Amias, and Ratacand. (Wikipedia)
Casopitant
2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate
5,10,15,20-Tetraphenyl-21,22,23,24-tetrahydroporphyrin
7,7-bis(dehydro-O-methylisopiline)
C38H36N2O6 (616.2573236000001)
131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester
dihydrocatalpol hexaacetate|Hexaacetyl-dihydrocatalpol
1,4,5-trihydroxy-7-methylnaphthalene-4-O-beta-xylopyranosyl-(1->4)-beta-xylopyranosyl-(1->6)-beta-glucopyranoside|diospyroside A
1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha-(2)-methylbutyroyloxy-4beta-hydroxy-dihydro-beta-agarofuran
(-)-epsilon-viniferin-12b-C-glucopyranoside|diptoindonesin
(-)-ampelopsin F-11b-O-beta-glucopyranoside|cordifoloside A
7-acetyl-11beta-acetoxy-1-epidihydronomilin|toonin A
7-<6-O-(alpha-L-rhamnopyranosyl)-2-O-(p-coumaroyl)-beta-D-glucopyranosyloxy>coumarin|7-[6-O-(alpha-L-rhamnopyranosyl)-2-O-(p-coumaroyl)-beta-D-glucopyranosyloxy]coumarin
(2Z)-2-methylbut-2-enoic acid (2R,5R,7R,8S,14aS)-5-(benzoyloxy)-5,6,7,8-tetrahydro-2,3-dimethoxy-7-methyl-1-oxospiro[1H,14H-benzo[1,8]cycloocta[1,2,3-cd][1,3]dioxolo[4,5-g]benzofuran-6,2-oxiran]-8-yl ester|Heteroclitin O
C30H32O14_Spiro[cyclopenta[c]pyran-7(1H),2(5H)-furan]-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-4a,7a-dihydro-4-[(1S)-1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]ethyl]-5-oxo-, methyl ester, (1S,4aS,7R,7aS)
methyl (1S,4aS,7aS)-4-[(1S)-1-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyethyl]-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2-furan]-4-carboxylate
Glu Pro Trp Trp
C32H36N6O7 (616.2645345999999)
Glu Trp Pro Trp
C32H36N6O7 (616.2645345999999)
Glu Trp Trp Pro
C32H36N6O7 (616.2645345999999)
Pro Glu Trp Trp
C32H36N6O7 (616.2645345999999)
Pro Trp Glu Trp
C32H36N6O7 (616.2645345999999)
Pro Trp Trp Glu
C32H36N6O7 (616.2645345999999)
Trp Glu Pro Trp
C32H36N6O7 (616.2645345999999)
Trp Glu Trp Pro
C32H36N6O7 (616.2645345999999)
Trp Pro Glu Trp
C32H36N6O7 (616.2645345999999)
Trp Pro Trp Glu
C32H36N6O7 (616.2645345999999)
Trp Trp Glu Pro
C32H36N6O7 (616.2645345999999)
Trp Trp Pro Glu
C32H36N6O7 (616.2645345999999)
Candesartan N2-Glucuronide
Dimoracin
trans-delta-Viniferin 3''-glucoside
trans-delta-Viniferin 3'''-glucoside
Pallidol 3-glucoside
2-[(1E,3Z)-3-CHLORO-5-(1,1,3-TRIMETHYL-1,3-DIHYDRO-2H-BENZO[E]INDOL-2-YLIDENE)-1,3-PENTADIENYL]-1,1,3-TRIMETHYL-1H-BENZO[E]INDOLIUM PERCHLORATE
2-[2-[2-chloro-3-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]inden-1-ylidene]ethylidene]-1,3,3-trimethylindole,perchlorate
5,10,15,20-tetraphenyl-2,3,22,24-tetrahydroporphyrin
Casopitant
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(2S,3S,4S,5R,6S)-6-[2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
3-[(1Z,4Z,10Z,14Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(6+)
C34H32FeN4O4+2 (616.1772821999999)
(31R)-8,12-diethyl-71-hydroxybacteriochlorophyllide c
[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[(2-amino-4-oxo-7,8-dihydro-3H-pteridin-6-yl)methylamino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
C23H33N6O12P (616.1893987999999)
5,10,15,20-Tetraphenyl-22,24-dihydro-21H,23H-porphyrin
Hematin
C34H32FeN4O4 (616.1772821999999)
Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2]. Ferroheme, a complex of ferrous iron and a porphyrin, is an isosteric inhibitor of fatty acid binding to rat liver fatty acid binding protein[1][2].
2-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
2-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
2-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-[4-(trifluoromethyl)anilino]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide
1-(4-fluorophenyl)-3-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
2-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
1-(4-fluorophenyl)-3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea
2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-[2-(4-methoxyphenyl)ethynyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide
C30H33FN2O7S2 (616.1713120000001)
beta-D-Glucopyranuronic acid, 1-[5-[4-[(7-carboxy-2-ethoxy-1H-benzimidazol-1-yl)methyl][1,1-biphenyl]-2-yl]-2H-tetrazol-2-yl]-1-deoxy-
Heme b
C34H32FeN4O4 (616.1772821999999)
A metalloprotoporphyrin in which the four pyrrole nitrogens of the protoporphyrin moiety are coordinated to iron. It is the most abundant of the heme compounds.
ferroheme b
C34H32FeN4O4 (616.1772821999999)
Heme b in which the iron has oxidation state +2.
(R)-Casopitant
(R)-Casopitant ((R)-GW679769) is the isomer of Casopitant (HY-14405). Casopitant is a NK(1)-receptor antagonist. Casopitant can be used for the research of chemotherapy-induced nausea and vomiting[1][2].
(1s,2r,4s,7s,8s,10s,11r,12r,13s,18r,20r)-13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
1,3-ditrimethylsilyl 2,4-bis({4-[(trimethylsilyl)oxy]phenyl})cyclobutane-1,3-dicarboxylate
2-(4-{2-[3-(3,5-dihydroxyphenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-6-yl]ethenyl}phenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 5-ethenyl-4-(2-{[3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
13,20-bis(acetyloxy)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-5,15-dioxo-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icosan-10-yl acetate
2-(3-{2-[3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]ethenyl}-5-hydroxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
methyl 4-(2-{[(4r,4as,6s,7r,7as)-3-hydroxy-4-(methoxycarbonyl)-7-methyl-octahydrocyclopenta[c]pyran-6-yl]oxy}-2-oxoethyl)-5-ethenyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
2-{4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
2-(hydroxymethyl)-6-{[4,6,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaen-12-yl]oxy}oxane-3,4,5-triol
(1r,4as,6r,7r,7as)-6-[3-(3-hydroxybenzoyloxy)benzoyloxy]-7-methyl-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
methyl (1s,4as,7r,7as)-4'-[(1s)-1-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}ethyl]-5'-oxo-1-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4a,7a-dihydro-1h-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
(1s,16r,17r,19r)-16-{[(2s)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-3,10-dihydroxy-17-methyl-4',5'-dihydro-1'h-18-oxaspiro[pentacyclo[15.2.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosane-19,2'-pyrrolo[2,3-b]pyrrole]-2,4(13),6,8,10,14-hexaene-5,12-dione
(1s,2s,3s,5r,6r,9r,10r,12s,14r,16r,18s,20r,22s,23s,25r)-3,9,23-trihydroxy-1,5,20-trimethyl-4-oxo-6-(6-oxopyran-3-yl)-11,17,19,24-tetraoxaheptacyclo[12.12.0.0²,¹⁰.0⁵,⁹.0¹⁰,¹².0¹⁶,²⁵.0¹⁸,²³]hexacosan-22-yl acetate
(2s,3z)-1-[(2s)-2-{[(2s,3s,4s)-2-amino-1,3,4-trihydroxy-5-(c-hydroxycarbonimidoyloxy)pentylidene]amino}-2-[(3s,4r,5r)-3,4-dihydroxy-5-[4-hydroxy-5-(hydroxymethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]acetyl]-3-ethylideneazetidine-2-carboxylic acid
C23H32N6O14 (616.1976411999999)