Exact Mass: 510.2649
Exact Mass Matches: 510.2649
Found 240 metabolites which its exact mass value is equals to given mass value 510.2649
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Physagulin A
Physagulin A is found in fruits. Physagulin A is a constituent of the famine food Physalis angulata (cutleaf ground cherry).
(2S,3S,4R)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PA(2:0/18:1(12Z)-2OH(9,10))
PA(2:0/18:1(12Z)-2OH(9,10)) 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(2:0/18:1(12Z)-2OH(9,10)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9,10-hydroxy-octadecenoyl 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(18:1(12Z)-2OH(9,10)/2:0)
PA(18:1(12Z)-2OH(9,10)/2:0) 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(18:1(12Z)-2OH(9,10)/2:0), in particular, consists of one chain of one 9,10-hydroxy-octadecenoyl at the C-1 position and one chain of acetyl 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).
Schweinfurthin H
A stilbenoid isolated from Macaranga alnifolia and has been shwon to exhibit cytotoxic activity.
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
6beta-cinnamoyl--5alpha,7beta-dihydroxy-12,16-epoxy-12alpha-methoxycassa-13(15)-en-16-one|neocaesalpin G
16beta-acetoxy-6alpha,7alpha-epoxy-5alpha-hydroxy-1-oxowitha-2,17(20),24-trienolide
3a-hydroxy-8-methyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indole-2-carboxylic acid 2-acetoxy-8a-hydroxy-5-isopropenyl-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl ester|fischerindoline
5beta-myrtenyl-9alpha-hydroxy-4,5-dihydroatripliciolide-8-O-angelate
His Gln Ala Arg
Zeylasterone
Zeylasterone is a natural product found in Maytenus woodsonii, Kokoona reflexa, and Celastrus paniculatus with data available.
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based: Match]
[3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate [IIN-based on: CCMSLIB00000847843]
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based on: CCMSLIB00000845468]
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate [IIN-based: Match]
2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid [IIN-based: Match]
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate [IIN-based on: CCMSLIB00000847198]
Ala His Gln Arg
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Physagulin A
Atrasentan
C28313 - Endothelin Receptor Antagonist > C28334 - Endothelin Receptor Type A Antagonist D065128 - Endothelin Receptor Antagonists > D065130 - Endothelin A Receptor Antagonists D000970 - Antineoplastic Agents
(2S,3S,4R)-4-(1,3-Benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8S,9R)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
N-[[(8R,9S)-6-[(2R)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
[3-Methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxobutan-2-yl] 2-hydroxy-3-methylpentanoate
N-[[(8S,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-9-yl]methyl]-N-methyl-5-phenyl-3-isoxazolecarboxamide
[(2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 9-methyldecanoate
methyl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-beta-D-galactoside
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (Z)-tetradec-9-enoate
[1-[(2-butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-tridec-9-enoate
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (Z)-pentadec-9-enoate
[1-butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-tridec-9-enoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (Z)-pentadec-9-enoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (Z)-tetradec-9-enoate
nebramycin 5
A carbamoylkanamycin that is tobramycin bearing a single carbamoyl substituent located at position 6 (on the 3-aminoglucose ring).
(1s,2r,4r,6s,7s,10r,11r,16r,17r,18s)-18-(acetyloxy)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14-oxo-3-oxapentacyclo[8.8.0.0²,⁴.0²,⁷.0¹¹,¹⁶]octadec-12-en-17-yl acetate
(2s,5z)-2-methyl-4-oxo-6-[(1r,3r,5s,10s,14r,15r,18r)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.0¹,³.0⁵,¹⁰.0¹⁴,¹⁸]octadec-11-en-15-yl]hept-5-enoic acid
(6bs,8as,11r,12ar,12bs,14ar)-2,3-dihydroxy-11-(methoxycarbonyl)-6b,8a,11,12b,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
(1s,2r,7s,9r,11r,12r,13s,16r)-15-[(1s)-1-[(2r)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0²,⁷.0⁷,⁹.0¹²,¹⁶]octadeca-4,14-dien-13-yl acetate
(1r,2r,4s,10s,11r,13s,14r,19r)-1,11-dihydroxy-9,9,14-trimethyl-17-[(1r)-1-[(2r)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-18-methylidene-3,8-dioxapentacyclo[11.7.0.0²,⁴.0⁴,¹⁰.0¹⁴,¹⁹]icosa-5,16-dien-7-one
3-(4-{3-hydroxy-3a,6,6,9a,11a-pentamethyl-4,7,10-trioxo-1h,2h,3h,5h,5ah,8h,9h,11h-cyclopenta[a]phenanthren-1-yl}furan-2-yl)-2-methylpropanoic acid
(3e,5e,7s,8r,10s,15r,16z,18z,24s)-11-ethyl-7,20,24,27,28-pentahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1(28),3,5,16,18,20,26-heptaen-2-one
(1e,3z,5z,7s,8r,9s,10s,11s,13r,15s,16z,18z,24s,25s)-11-ethyl-2,7,20,24,27-pentahydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.0⁸,¹⁵.0⁹,¹³]octacosa-1,3,5,16,18,20,26-heptaen-28-one
methyl (2s,4as,6ar,12br,14as,14br)-9-formyl-10,11-dihydroxy-2,4a,6a,12b,14a-pentamethyl-3,8-dioxo-4,5,6,6b,7,13,14,14b-octahydro-1h-picene-2-carboxylate
applanoxidic acid F
{"Ingredient_id": "HBIN016523","Ingredient_name": "applanoxidic acid F","Alias": "NA","Ingredient_formula": "C30H38O7","Ingredient_Smile": "CC(CC(=O)C=C(C)C1CC(=O)C2(C1(C(=O)C=C3C24C(O4)CC5C3(CCC(=O)C5(C)C)C)C)C)C(=O)O","Ingredient_weight": "510.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101664507","DrugBank_id": "NA"}