Exact Mass: 510.2605
Exact Mass Matches: 510.2605
Found 317 metabolites which its exact mass value is equals to given mass value 510.2605
,
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).
Butanediamide, N4-(5-(acetylamino)-1-((methylamino)carbonyl)pentyl)-N1-hydroxy-2-(((4-hydroxyphenyl)thio)methyl)-3-(2-methylpropyl)-, (2S-(N4(R*),2R*,3S*))-
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
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
Ala His Arg Gln
Ala Gln His Arg
Ala Gln Arg His
Ala Arg His Gln
Ala Arg Gln His
Cys Ile Ile Tyr
Cys Ile Leu Tyr
Cys Ile Tyr Ile
Cys Ile Tyr Leu
Cys Leu Ile Tyr
Cys Leu Leu Tyr
Cys Leu Tyr Ile
Cys Leu Tyr Leu
Cys Tyr Ile Ile
Cys Tyr Ile Leu
Cys Tyr Leu Ile
Cys Tyr Leu Leu
Phe Ile Met Thr
Phe Ile Thr Met
Phe Leu Met Thr
Phe Leu Thr Met
Phe Met Ile Thr
Phe Met Leu Thr
Phe Met Thr Ile
Phe Met Thr Leu
Phe Thr Ile Met
Phe Thr Leu Met
Phe Thr Met Ile
Phe Thr Met Leu
His Ala Gln Arg
His Ala Arg Gln
His Ile Asn Gln
His Ile Gln Asn
His Leu Asn Gln
His Leu Gln Asn
His Asn Ile Gln
His Asn Leu Gln
His Asn Gln Ile
His Asn Gln Leu
His Gln Ile Asn
His Gln Leu Asn
His Gln Asn Ile
His Gln Asn Leu
His Gln Gln Val
His Gln Arg Ala
His Gln Val Gln
His Arg Ala Gln
His Arg Gln Ala
His Val Gln Gln
Ile Cys Ile Tyr
Ile Cys Leu Tyr
Ile Cys Tyr Ile
Ile Cys Tyr Leu
Ile Phe Met Thr
Ile Phe Thr Met
Ile His Asn Gln
Ile His Gln Asn
Ile Ile Cys Tyr
Ile Ile Tyr Cys
Ile Leu Cys Tyr
Ile Leu Tyr Cys
Ile Met Phe Thr
Ile Met Thr Phe
Ile Asn His Gln
Ile Asn Gln His
Ile Gln His Asn
Ile Gln Asn His
Ile Thr Phe Met
Ile Thr Met Phe
Ile Tyr Cys Ile
Ile Tyr Cys Leu
Ile Tyr Ile Cys
Ile Tyr Leu Cys
Leu Cys Ile Tyr
Leu Cys Leu Tyr
Leu Cys Tyr Ile
Leu Cys Tyr Leu
Leu Phe Met Thr
Leu Phe Thr Met
Leu His Asn Gln
Leu His Gln Asn
Leu Ile Cys Tyr
Leu Ile Tyr Cys
Leu Leu Cys Tyr
Leu Leu Tyr Cys
Leu Met Phe Thr
Leu Met Thr Phe
Leu Asn His Gln
Leu Asn Gln His
Leu Gln His Asn
Leu Gln Asn His
Leu Thr Phe Met
Leu Thr Met Phe
Leu Tyr Cys Ile
Leu Tyr Cys Leu
Leu Tyr Ile Cys
Leu Tyr Leu Cys
Met Phe Ile Thr
Met Phe Leu Thr
Met Phe Thr Ile
Met Phe Thr Leu
Met Ile Phe Thr
Met Ile Thr Phe
Met Leu Phe Thr
Met Leu Thr Phe
Met Thr Phe Ile
Met Thr Phe Leu
Met Thr Ile Phe
Met Thr Leu Phe
Met Val Val Tyr
Met Val Tyr Val
Met Tyr Val Val
Asn His Ile Gln
Asn His Leu Gln
Asn His Gln Ile
Asn His Gln Leu
Asn Ile His Gln
Asn Ile Gln His
Asn Leu His Gln
Asn Leu Gln His
Asn Gln His Ile
Asn Gln His Leu
Asn Gln Ile His
Asn Gln Leu His
Gln Ala His Arg
Gln Ala Arg His
Gln His Ala Arg
Gln His Ile Asn
Gln His Leu Asn
Gln His Asn Ile
Gln His Asn Leu
Gln His Gln Val
Gln His Arg Ala
Gln His Val Gln
Gln Ile His Asn
Gln Ile Asn His
Gln Leu His Asn
Gln Leu Asn His
Gln Asn His Ile
Gln Asn His Leu
Gln Asn Ile His
Gln Asn Leu His
Gln Gln His Val
Gln Gln Val His
Gln Arg Ala His
Gln Arg His Ala
Gln Val His Gln
Gln Val Gln His
Arg Ala His Gln
Arg Ala Gln His
Arg His Ala Gln
Arg His Gln Ala
Arg Gln Ala His
Arg Gln His Ala
Thr Phe Ile Met
Thr Phe Leu Met
Thr Phe Met Ile
Thr Phe Met Leu
Thr Ile Phe Met
Thr Ile Met Phe
Thr Leu Phe Met
Thr Leu Met Phe
Thr Met Phe Ile
Thr Met Phe Leu
Thr Met Ile Phe
Thr Met Leu Phe
Val His Gln Gln
Val Met Val Tyr
Val Met Tyr Val
Val Gln His Gln
Val Gln Gln His
Val Val Met Tyr
Val Val Tyr Met
Val Tyr Met Val
Val Tyr Val Met
Tyr Cys Ile Ile
Tyr Cys Ile Leu
Tyr Cys Leu Ile
Tyr Cys Leu Leu
Tyr Ile Cys Ile
Tyr Ile Cys Leu
Tyr Ile Ile Cys
Tyr Ile Leu Cys
Tyr Leu Cys Ile
Tyr Leu Cys Leu
Tyr Leu Ile Cys
Tyr Leu Leu Cys
Tyr Met Val Val
Tyr Val Met Val
Tyr Val Val Met
Physagulin A
Tetrahydroasterriquinone
A member of the class of dihydroxy-1,4-benzoquinones that is asterriquinone in which the double bonds in both of the N-(3-methylbut-1-en-3-yl) groups have been reduced to single bonds.
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
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"}