Exact Mass: 686.3513384
Exact Mass Matches: 686.3513384
Found 143 metabolites which its exact mass value is equals to given mass value 686.3513384,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dslet
C33H46N6O10 (686.3275256000001)
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004745 - Enkephalins
[5-[2-[4-(4-Benzhydrylpiperazin-1-ium-1-yl)phenyl]ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-3-ylidene]-methoxymethanolate
C41H42N4O6 (686.3104192000001)
Dslet
C33H46N6O10 (686.3275256000001)
PA(12:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C35H59O11P (686.3794793999999)
PA(12:0/20:5(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(12:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one dodecanoyl 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)/12:0)
C35H59O11P (686.3794793999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0) 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)/12:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of dodecanoyl 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(i-12:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C35H59O11P (686.3794793999999)
PA(i-12:0/20:5(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(i-12:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)), in particular, consists of one chain of one 10-methylundecanoyl 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)/i-12:0)
C35H59O11P (686.3794793999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-12:0) 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)/i-12:0), in particular, consists of one chain of one Lipoxin A5 at the C-1 position and one chain of 10-methylundecanoyl 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).
3-O-benzoyl-17-benzoyloxy-13-(2,3-dimethylbutanoyloxy)ingenol
13,17-dibenzoyloxy-3-O-(2,3-dimethylbutanoyl)ingenol
Gamabufotalin-3-adipoylargininester
C36H54N4O9 (686.3890594000001)
N-(3-Hydroxycarbonylpropionyl)-anthranoyllycoctonin
cucurbitacin D 16-O-(2?-O-acetyl-4?,6?-dideoxy-alpha-gluco-hex-3?-ulopyranoside)|datiscoside I
Arg Trp Tyr Tyr
C35H42N8O7 (686.3176301999999)
Arg Tyr Trp Tyr
C35H42N8O7 (686.3176301999999)
Arg Tyr Tyr Trp
C35H42N8O7 (686.3176301999999)
Trp Arg Tyr Tyr
C35H42N8O7 (686.3176301999999)
Trp Tyr Arg Tyr
C35H42N8O7 (686.3176301999999)
Trp Tyr Tyr Arg
C35H42N8O7 (686.3176301999999)
Tyr Arg Trp Tyr
C35H42N8O7 (686.3176301999999)
Tyr Arg Tyr Trp
C35H42N8O7 (686.3176301999999)
Tyr Trp Arg Tyr
C35H42N8O7 (686.3176301999999)
Tyr Trp Tyr Arg
C35H42N8O7 (686.3176301999999)
Tyr Tyr Arg Trp
C35H42N8O7 (686.3176301999999)
Tyr Tyr Trp Arg
C35H42N8O7 (686.3176301999999)
PG-PI
C30H55O15P (686.3278409999999)
Tetrakis[[2,2,2-nitrilotris[ethanolato]](1-)-N,o]zirconium
Vatanidipine
C41H42N4O6 (686.3104192000001)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
PA(12:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C35H59O11P (686.3794793999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/12:0)
C35H59O11P (686.3794793999999)
PA(i-12:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
C35H59O11P (686.3794793999999)
PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-12:0)
C35H59O11P (686.3794793999999)
[5-[2-[4-(4-Benzhydrylpiperazin-1-ium-1-yl)phenyl]ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridin-3-ylidene]-methoxymethanolate
C41H42N4O6 (686.3104192000001)
2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid
C33H46N6O10 (686.3275256000001)
2-[3-(2-Tert-butyl-9-ethyl-6,8,8-trimethyl-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl)prop-2-en-1-ylidene]-1-(5-carboxypentyl)-3,3-dimethylindoline-5-sulfonate
C40H50N2O6S (686.3389400000001)
N-(2-aminophenyl)-4-[[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-9-[[3-(4-morpholinyl)-1-oxopropyl]amino]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
[1-acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
[2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-phosphonooxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
[1-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[2-[(9E,11E,13E)-hexadeca-9,11,13-trienoyl]oxy-3-phosphonooxypropyl] (7E,9E,11E,13E,15E,17E)-icosa-7,9,11,13,15,17-hexaenoate
[2-[(7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoyl]oxy-3-phosphonooxypropyl] (5E,8E,11E,14E,17E)-icosa-5,8,11,14,17-pentaenoate
[2-[(5E,7E,9E,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxy-3-phosphonooxypropyl] (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate
(2s,3as,4ar,6s,8s,8as,9r,10r)-8,9-bis(acetyloxy)-2-hydroxy-3a-(2-hydroxypropan-2-yl)-1,8a-dimethyl-5-methylidene-6-{[(2e)-3-phenylprop-2-enoyl]oxy}-2h,3h,4h,4ah,6h,7h,8h,9h,10h-cyclohexa[f]azulen-10-yl benzoate
(2s,3s,4s,5r,6r)-6-{[(1r,3as,3bs,5s,5as,7s,9as,11as)-9a,11a-dimethyl-1-[(1s)-1-[(2s,3s)-3-[(2r)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-5-(sulfooxy)-1h,2h,3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,11h-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
C34H54O12S (686.3335804000001)
(1r,4r,5r,7s,8r,9r,10r,11s,12s)-5,7-bis(acetyloxy)-10-[(3r,5s)-5-(acetyloxy)-3-(furan-3-yl)-2-methylcyclopent-1-en-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl 2-methylpropanoate
10-[8-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-9-[(4-methoxy-4-oxobut-2-enoyl)oxy]-3-methyl-9-pentyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
[(2s,3s,4r,5s)-2-{[(3r,3ar,4s,5ar,5br,7ar,9s,11ar,11br,13r,13ar,13br)-3-acetyl-4,13-dihydroxy-3,5a,5b,8,8,11a,13b-heptamethyl-tetradecahydro-1h-cyclopenta[a]chrysen-9-yl]oxy}-3,5-dihydroxyoxan-4-yl]oxidanesulfonic acid
(1r,2e,4e,6e,8e,10s,11r,14r,15s,17s,19s,21r,23r,25r,26s,27s,28r)-10,15,17,19,21,23,25,26,27-nonahydroxy-14-[(1r)-1-hydroxyhexyl]-11,28-dimethyl-12,29-dioxabicyclo[26.1.0]nonacosa-2,4,6,8-tetraen-13-one
2alpha-benzoyloxy-5alpha-cinnamoyloxy-1beta,13alpha-dihydroxy-4(20),11-taxadiene
{"Ingredient_id": "HBIN005276","Ingredient_name": "2alpha-benzoyloxy-5alpha-cinnamoyloxy-1beta,13alpha-dihydroxy-4(20),11-taxadiene","Alias": "NA","Ingredient_formula": "C40H46O10","Ingredient_Smile": "CC1=C2C(C(C3(CCC(C(=C)C3C(C(C2(C)C)(CC1O)O)OC(=O)C4=CC=CC=C4)OC(=O)C=CC5=CC=CC=C5)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25198","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2α-benzoyloxy-5α-cinnamoyloxy-9α,10β-di-acetoxy-1β,13α-dihydroxy-4(20),11-taxadiene
{"Ingredient_id": "HBIN005277","Ingredient_name": "2\u03b1-benzoyloxy-5\u03b1-cinnamoyloxy-9\u03b1,10\u03b2-di-acetoxy-1\u03b2,13\u03b1-dihydroxy-4(20),11-taxadiene","Alias": "NA","Ingredient_formula": "C40H46O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2250","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
10-[8-(4-carboxy-3-methylbuta-1,3-dien-1-yl)-9-[(3-carboxyprop-2-enoyl)oxy]-9-hexyl-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
(4r,8r,9r,10r)-5,7-bis(acetyloxy)-10-[(3r,5s)-5-(acetyloxy)-3-(furan-3-yl)-2-methylcyclopent-1-en-1-yl]-9-[(acetyloxy)methyl]-4,8,10-trimethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodecan-11-yl 2-methylpropanoate
{[(2r)-1-{[(2r,3r,4s,5r)-3,4-bis(acetyloxy)-6-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-1-{[(2s)-2-hydroxy-3-methylbutanoyl]oxy}-5-{[(2s)-3-methyl-2-(methylidyneammonio)butanoyl]oxy}hexan-2-yl]oxy}-3-methyl-1-oxobutan-2-yl]imino}methanide
(3s,4r)-9-[(2s)-3-({2-[(1e,3r,4s,5e)-3,4-dihydroxyhepta-1,5-dien-1-yl]-6-methoxyphenyl}methoxy)-2-hydroxy-3-methylbutyl]-4,6-dihydroxy-12-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-2h-1,10-dioxatetraphen-5-one
(1r,6r,7r,10r,11s,12s,14s,15s,16r,18r)-6-(furan-3-yl)-15,16-dihydroxy-12-(2-methoxy-2-oxoethyl)-7,11,13,13-tetramethyl-14-{[(2s)-2-methylbutanoyl]oxy}-4-oxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadec-2-en-18-yl (2s)-2-methylbutanoate
methyl (1r,9r,16r,18r,21s)-6-[(1r,12s,13s,15r,16r,20r)-12-ethyl-10-(methoxycarbonyl)-14-oxa-8,17-diazahexacyclo[10.7.1.0¹,⁹.0²,⁷.0¹³,¹⁵.0¹⁷,²⁰]icosa-2,4,6,9-tetraen-16-yl]-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
C42H46N4O5 (686.3468025999999)