Exact Mass: 630.2676132
Exact Mass Matches: 630.2676132
Found 136 metabolites which its exact mass value is equals to given mass value 630.2676132,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Brassica napus non-fluorescent chlorophyll catabolite 3
Brassica napus non-fluorescent chlorophyll catabolite 3 is found in brassicas. Brassica napus non-fluorescent chlorophyll catabolite 3 is isolated from rape cotyledons. Isolated from rape cotyledons. Brassica napus non-fluorescent chlorophyll catabolite 3 is found in brassicas.
Caspase-1 Inhibitor VI
PA(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
PA(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(8:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one octanoyl at the C-1 position and one chain of Lipoxin A5 at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0) is an oxidized phosphatidic acid (PA). Oxidized phosphatidic acids are glycerophospholipids in which a phosphate moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidic acids belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with diacylglycerols, phosphatidic acids can have many different combinations of fatty acids of varying lengths, saturation and degrees of oxidation attached at the C-1 and C-2 positions. PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of octanoyl at the C-2 position. Phospholipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with phospholipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Oxidized PAs can be synthesized via three different routes. In one route, the oxidized PA is synthetized de novo following the same mechanisms as for PAs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PA backbone, mainly through the action of LOX (PMID: 33329396).
Nonioside B
Constituent of the fruit of Indian mulberry (Morinda citrifolia), a plant eaten as a famine food and occasionally as a staple in the Pacific region [DFC]. Nonioside B is found in fruits.
Ddabvi
9-Dihydro-13-acetylbaccatin III is a natural product found in Taxus wallichiana with data available. 9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate. 9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate.
13-Acetyl-9-dihydrobaccatin III
9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate. 9-Dihydro-13-acetylbaccatin III (9-DHAB III) is an intermediate for taxol analog preparations. IC50 value: Target: There are a series of closely related natural organic compounds isolated from the Pacific yew tree (Taxus brevifolia) and related species. Taxols have exhibit antitumor agents. 9-Dihydro-13-acetylbaccatin III is an antineoplastic agent and an anti-cancer intermediate.
3,3-(3-ethylidene-16-hydroxy-2,7,13,17-tetramethyl-1,19-dioxo-18-vinyl-1,2,3,15,16,19,22,24-octahydro-21H-biline-8,12-diyl)-bis-propionic acid dimethyl ester|Aplysioviolin
C35H42N4O7 (630.3053342000001)
rel-(4-hydroxy-3,5-dimethoxyphenyl){tetrahydro-5-{4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy]-3,5-dimethoxyphenyl}-4-(hydroxymethyl)furan-3-yl}methanone|seslignanoccidentaliol B
Hybrimycin A1|Hybrimycin A2|Hybrimycin B1|Hybrimycin B2
C23H46N6O14 (630.3071855999999)
(2alpha,4alpha,5alpha,7beta,9beta,10beta)-11(15-1)-Abeo-2,20-epoxy-11-taxene-4,5,7,9,10,13,15-heptol
(ent-4beta,6beta,7alpha,8alpha,11E)-4,18-Epoxy-6,7,8,19-tetrahydroxy-11,13-clerodadien-15,16-olide|scutalpin K
2-hydroxyacetic acid rel-(1aR,4R,5R,5aS,7R,9R,9aR,10S,11R,11aS)-9,10-bis(acetyloxy)-5-(benzoyloxy)dodecahydro-4,7-dihydroxy-1a,9a,12,12-tetramethyl-6-methylene-2-oxo-3H-4,11a-methanobenzo[5,6]cyclodec[1,2-b]oxiren-11-yl ester|rel-(2alpha,5alpha,7beta,9alpha,10beta,12alpha)-7,9-bis(acetyloxy)-2-(benzoyloxy)-11,12-epoxy-1,5-dihydroxy-10-[(hydroxyacetyl)oxy]tax-4(20)-en-13-one
[3,3]bi(2-hydroxy-4,5,6-trimethoxydihydrochalcone)
2,6-di(O-beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|2,6-di-O-(beta-D-glucopyranosyl)-1-O-octanoyl-beta-D-glucopyranose|nonioside B
Me glycoside,2,3,4-tri-Ac-,3,4-dibenzyl-2-O-alpha-L-Rhamnopyranosyl-L-rhamnose
Cys His Trp Trp
Cys Trp His Trp
Cys Trp Trp His
His Cys Trp Trp
His Trp Cys Trp
His Trp Trp Cys
Trp Cys His Trp
Trp Cys Trp His
Trp His Cys Trp
Trp His Trp Cys
Trp Trp Cys His
Trp Trp His Cys
Brassica napus non-fluorescent chlorophyll catabolite 3
2-[[(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carbonyl]amino]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
5,5,6,6,7,7,8,8-Octahydro-1,1-binaphthalene-2,2-diylbis(dip henylphosphine)
3-Ethyl-2-[3-(3-ethyl-1,3-dihydro-1,1-dimethyl-2H-benz[e]indol-2-ylidene)-1-propen-1-yl]-1,1-dimethyl-1H-benz[e]indolium hexafluorophosphate(1-) (1:1)
12-Ethyl-71-hydroxy-8-propylbacteriochlorophyllide c
3-Deacetyl-3-(1-hydroxyethyl)-bacteriochlorophyllide g
C35H34MgN4O6-2 (630.2328724000001)
magnesium;3-[(21S,22S)-11-ethyl-16-(1-hydroxyethyl)-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
C35H34MgN4O6-2 (630.2328724000001)
magnesium;3-[(11R,12R,21S,22S)-16-acetyl-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),13,15,17,19-decaen-22-yl]propanoate
C35H34MgN4O6-2 (630.2328724000001)
3-[18-(2-Carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis(1-sulfanylethyl)-22,23-dihydroporphyrin-2-yl]propanoic acid
1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(1-naphthalenyl)urea
3-(1-hydroxyethyl)chlorophyllide a(2-)
C35H34MgN4O6 (630.2328724000001)
A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)chlorophyllide a 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.).
bacteriochlorophyllide a(2-)
C35H34MgN4O6 (630.2328724000001)
A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide a 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.).
3-acetylchlorophyllide a
C35H34MgN4O6 (630.2328724000001)
A chlorophyllide obtained by hydrolysis of the terpenoid ester moiety of 3-acetylchlorophyll a.
Z-YVAD-FMK
Z-YVAD-FMK is a?cell-permeable?caspase-1 and -4 inhibitor with?anti-inflammatory and anti-tumor activities[1].
n-{1-[1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.0²,¹⁰.0⁴,⁸]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl}-2-methylpropanimidic acid
n-{1-[(2r,5s,6r)-5-{[(2r,3r,4s,5s,6r)-5-(dimethylamino)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-2-hydroxypyrimidin-4-ylidene}-4-[(4r)-4-(hydroxymethyl)-4-methyl-5-oxoimidazolidin-1-yl]benzamide
(8s,9s,10s,11r)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-11-{[(2e)-3-phenylprop-2-enoyl]oxy}-15,17-dioxatetracyclo[10.7.0.0²,⁷.0¹⁴,¹⁸]nonadeca-1(12),2,4,6,13,18-hexaen-8-yl (2e)-2-methylbut-2-enoate
(2r)-n-[(2r)-1-[(1r,9r,10r,11s,12r)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-11-phenyl-8-oxatricyclo[7.2.1.0²,⁷]dodeca-2,4,6-triene-10-carbonyl]pyrrolidin-2-yl]-2-methylbutanimidic acid
(1r,2e,4r,15e,19s,20s,23s,24r,25s,28r,30r,32r,33s)-19,32-dihydroxy-23,24-dimethoxy-2-methyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl 2-methylbut-2-enoate
(1s,3r,4s,5s,7r,8s,9r,12s,13s,16s)-16-(acetyloxy)-13-(furan-3-yl)-5-hydroxy-7-(2-methoxy-2-oxoethyl)-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-4-yl 3-methylbutanoate
(1s)-2-[(1r,4r,4ar,5s,6r,8s,8ar)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5,6-dimethyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-hexahydro-2h-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2h-furan-3-yl)ethyl (2z)-2-methylbut-2-enoate
methyl 2-[(3r,4r,5s)-4-[(1ar,3s,3ar,4r,5r,6r,7as)-4,5-bis(acetyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-5-(acetyloxy)-2,2,4-trimethyl-7-oxooxepan-3-yl]acetate
(1s,2r,4s,5s,6r,7s,9r)-5-(acetyloxy)-6-[(acetyloxy)methyl]-2,10,10-trimethyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl (2e)-3-phenylprop-2-enoate
(2z,15z)-19,32-dihydroxy-23,24-dimethoxy-2-methyl-6,12,17,21,34-pentaoxahexacyclo[28.3.1.0¹,²⁵.0⁴,²⁰.0¹⁰,¹⁴.0²⁸,³³]tetratriaconta-2,10(14),15,26-tetraene-7,11,13,22-tetrone
(3s,4s,4as,5r,6r,6as,7r,11as,11br)-3-(acetyloxy)-5,6-bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1h,2h,3h,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylic acid
(1s,9r,13r,21s)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-3,5,7,11,14,16,18-heptaene-5,15-diol
(1r,2s,4r,5r,9s,10s,13s,14r,15r,17r)-15-[(1r)-1-(acetyloxy)-2-methoxy-2-oxoethyl]-9-(furan-3-yl)-1-hydroxy-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.0²,⁴.0⁴,¹³.0⁵,¹⁰]octadecan-17-yl 2-methylpropanoate
(1r,4r,7s,9s)-4-benzyl-9-(3-{[(2s,5r)-3,6-dihydroxy-5-(2-methylpropyl)-2,5-dihydropyrazin-2-yl]methyl}indol-1-yl)-6-hydroxy-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one
C37H38N6O4 (630.2954387999999)