Exact Mass: 617.3074003999999
Exact Mass Matches: 617.3074003999999
Found 338 metabolites which its exact mass value is equals to given mass value 617.3074003999999
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rotigaptide
PC(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
PC(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(2:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of Leukotriene B4 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).
PC(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0)
PC(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/2:0), in particular, consists of one chain of one Leukotriene B4 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).
PC(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))
PC(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(2:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5(S),15(S)-Dihydroxyeicosatetraenoyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).
PC(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0)
PC(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/2:0), in particular, consists of one chain of one 5(S),15(S)-Dihydroxyeicosatetraenoyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).
PC(2:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
PC(2:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(2:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 5,6-Dihydroxyeicosatetraenoyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).
PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0)
PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0) is an oxidized phosphatidylcholine (PC or GPCho). Oxidized phosphatidylcholines are glycerophospholipids in which a phosphorylcholine moiety occupies a glycerol substitution site and at least one of the fatty acyl chains has undergone oxidation. As all oxidized lipids, oxidized phosphatidylcholines 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, glycerophosphocholines 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. PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0), in particular, consists of one chain of one 5,6-Dihydroxyeicosatetraenoyl 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 PCs can be synthesized via three different routes. In one route, the oxidized PC is synthetized de novo following the same mechanisms as for PCs but incorporating oxidized acyl chains (PMID: 33329396). An alternative is the transacylation of one of the non-oxidated acyl chains with an oxidated acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the PC backbone, mainely through the action of LOX (PMID: 33329396).
6-benzylamino-9-(glucosylribosyl)purine
C30H43N5O9 (617.3060628000001)
8-Deacetylyunaconitine
Ala Arg Trp Trp
C31H39N9O5 (617.3074003999999)
Ala Trp Arg Trp
C31H39N9O5 (617.3074003999999)
Ala Trp Trp Arg
C31H39N9O5 (617.3074003999999)
Glu Phe His Trp
C31H35N7O7 (617.2597840000001)
Glu Phe Trp His
C31H35N7O7 (617.2597840000001)
Glu His Phe Trp
C31H35N7O7 (617.2597840000001)
Glu His Trp Phe
C31H35N7O7 (617.2597840000001)
Glu Lys Arg Trp
Glu Lys Trp Arg
Glu Gln Arg Trp
Glu Gln Trp Arg
Glu Arg Lys Trp
Glu Arg Gln Trp
Glu Arg Trp Lys
Glu Arg Trp Gln
Glu Trp Phe His
C31H35N7O7 (617.2597840000001)
Glu Trp His Phe
C31H35N7O7 (617.2597840000001)
Glu Trp Lys Arg
Glu Trp Gln Arg
Glu Trp Arg Lys
Glu Trp Arg Gln
Phe Glu His Trp
C31H35N7O7 (617.2597840000001)
Phe Glu Trp His
C31H35N7O7 (617.2597840000001)
Phe His Glu Trp
C31H35N7O7 (617.2597840000001)
Phe His Trp Glu
C31H35N7O7 (617.2597840000001)
Phe Trp Glu His
C31H35N7O7 (617.2597840000001)
Phe Trp His Glu
C31H35N7O7 (617.2597840000001)
His Glu Phe Trp
C31H35N7O7 (617.2597840000001)
His Glu Trp Phe
C31H35N7O7 (617.2597840000001)
His Phe Glu Trp
C31H35N7O7 (617.2597840000001)
His Phe Trp Glu
C31H35N7O7 (617.2597840000001)
His Ile Trp Tyr
C32H39N7O6 (617.2961674000001)
His Ile Tyr Trp
C32H39N7O6 (617.2961674000001)
His Leu Trp Tyr
C32H39N7O6 (617.2961674000001)
His Leu Tyr Trp
C32H39N7O6 (617.2961674000001)
His Trp Glu Phe
C31H35N7O7 (617.2597840000001)
His Trp Phe Glu
C31H35N7O7 (617.2597840000001)
His Trp Ile Tyr
C32H39N7O6 (617.2961674000001)
His Trp Leu Tyr
C32H39N7O6 (617.2961674000001)
His Trp Tyr Ile
C32H39N7O6 (617.2961674000001)
His Trp Tyr Leu
C32H39N7O6 (617.2961674000001)
His Tyr Ile Trp
C32H39N7O6 (617.2961674000001)
His Tyr Leu Trp
C32H39N7O6 (617.2961674000001)
His Tyr Trp Ile
C32H39N7O6 (617.2961674000001)
His Tyr Trp Leu
C32H39N7O6 (617.2961674000001)
Ile His Trp Tyr
C32H39N7O6 (617.2961674000001)
Ile His Tyr Trp
C32H39N7O6 (617.2961674000001)
Ile Asn Trp Trp
C32H39N7O6 (617.2961674000001)
Ile Trp His Tyr
C32H39N7O6 (617.2961674000001)
Ile Trp Asn Trp
C32H39N7O6 (617.2961674000001)
Ile Trp Trp Asn
C32H39N7O6 (617.2961674000001)
Ile Trp Tyr His
C32H39N7O6 (617.2961674000001)
Ile Tyr His Trp
C32H39N7O6 (617.2961674000001)
Ile Tyr Trp His
C32H39N7O6 (617.2961674000001)
Lys Glu Arg Trp
Lys Glu Trp Arg
Lys Arg Glu Trp
Lys Arg Trp Glu
Lys Val Trp Trp
C33H43N7O5 (617.3325507999999)
Lys Trp Glu Arg
Lys Trp Arg Glu
Lys Trp Val Trp
C33H43N7O5 (617.3325507999999)
Lys Trp Trp Val
C33H43N7O5 (617.3325507999999)
Leu His Trp Tyr
C32H39N7O6 (617.2961674000001)
Leu His Tyr Trp
C32H39N7O6 (617.2961674000001)
Leu Asn Trp Trp
C32H39N7O6 (617.2961674000001)
Leu Trp His Tyr
C32H39N7O6 (617.2961674000001)
Leu Trp Asn Trp
C32H39N7O6 (617.2961674000001)
Leu Trp Trp Asn
C32H39N7O6 (617.2961674000001)
Leu Trp Tyr His
C32H39N7O6 (617.2961674000001)
Leu Tyr His Trp
C32H39N7O6 (617.2961674000001)
Leu Tyr Trp His
C32H39N7O6 (617.2961674000001)
Met Arg Arg Arg
Asn Ile Trp Trp
C32H39N7O6 (617.2961674000001)
Asn Leu Trp Trp
C32H39N7O6 (617.2961674000001)
Asn Trp Ile Trp
C32H39N7O6 (617.2961674000001)
Asn Trp Leu Trp
C32H39N7O6 (617.2961674000001)
Asn Trp Trp Ile
C32H39N7O6 (617.2961674000001)
Asn Trp Trp Leu
C32H39N7O6 (617.2961674000001)
Gln Glu Arg Trp
Gln Glu Trp Arg
Gln Arg Glu Trp
Gln Arg Trp Glu
Gln Val Trp Trp
C32H39N7O6 (617.2961674000001)
Gln Trp Glu Arg
Gln Trp Arg Glu
Gln Trp Val Trp
C32H39N7O6 (617.2961674000001)
Gln Trp Trp Val
C32H39N7O6 (617.2961674000001)
Arg Ala Trp Trp
C31H39N9O5 (617.3074003999999)
Arg Glu Lys Trp
Arg Glu Gln Trp
Arg Glu Trp Lys
Arg Glu Trp Gln
Arg Lys Glu Trp
Arg Lys Trp Glu
Arg Met Arg Arg
Arg Gln Glu Trp
Arg Gln Trp Glu
Arg Arg Met Arg
Arg Arg Arg Met
Arg Arg Thr Trp
C27H43N11O6 (617.3397617999999)
Arg Arg Trp Thr
C27H43N11O6 (617.3397617999999)
Arg Thr Arg Trp
C27H43N11O6 (617.3397617999999)
Arg Thr Trp Arg
C27H43N11O6 (617.3397617999999)
Arg Trp Ala Trp
C31H39N9O5 (617.3074003999999)
Arg Trp Glu Lys
Arg Trp Glu Gln
Arg Trp Lys Glu
Arg Trp Gln Glu
Arg Trp Arg Thr
C27H43N11O6 (617.3397617999999)
Arg Trp Thr Arg
C27H43N11O6 (617.3397617999999)
Arg Trp Trp Ala
C31H39N9O5 (617.3074003999999)
Thr Arg Arg Trp
C27H43N11O6 (617.3397617999999)
Thr Arg Trp Arg
C27H43N11O6 (617.3397617999999)
Thr Trp Arg Arg
C27H43N11O6 (617.3397617999999)
Val Lys Trp Trp
C33H43N7O5 (617.3325507999999)
Val Gln Trp Trp
C32H39N7O6 (617.2961674000001)
Val Trp Lys Trp
C33H43N7O5 (617.3325507999999)
Val Trp Gln Trp
C32H39N7O6 (617.2961674000001)
Val Trp Trp Lys
C33H43N7O5 (617.3325507999999)
Val Trp Trp Gln
C32H39N7O6 (617.2961674000001)
Trp Ala Arg Trp
C31H39N9O5 (617.3074003999999)
Trp Ala Trp Arg
C31H39N9O5 (617.3074003999999)
Trp Glu Phe His
C31H35N7O7 (617.2597840000001)
Trp Glu His Phe
C31H35N7O7 (617.2597840000001)
Trp Glu Lys Arg
Trp Glu Gln Arg
Trp Glu Arg Lys
Trp Glu Arg Gln
Trp Phe Glu His
C31H35N7O7 (617.2597840000001)
Trp Phe His Glu
C31H35N7O7 (617.2597840000001)
Trp His Glu Phe
C31H35N7O7 (617.2597840000001)
Trp His Phe Glu
C31H35N7O7 (617.2597840000001)
Trp His Ile Tyr
C32H39N7O6 (617.2961674000001)
Trp His Leu Tyr
C32H39N7O6 (617.2961674000001)
Trp His Tyr Ile
C32H39N7O6 (617.2961674000001)
Trp His Tyr Leu
C32H39N7O6 (617.2961674000001)
Trp Ile His Tyr
C32H39N7O6 (617.2961674000001)
Trp Ile Asn Trp
C32H39N7O6 (617.2961674000001)
Trp Ile Trp Asn
C32H39N7O6 (617.2961674000001)
Trp Ile Tyr His
C32H39N7O6 (617.2961674000001)
Trp Lys Glu Arg
Trp Lys Arg Glu
Trp Lys Val Trp
C33H43N7O5 (617.3325507999999)
Trp Lys Trp Val
C33H43N7O5 (617.3325507999999)
Trp Leu His Tyr
C32H39N7O6 (617.2961674000001)
Trp Leu Asn Trp
C32H39N7O6 (617.2961674000001)
Trp Leu Trp Asn
C32H39N7O6 (617.2961674000001)
Trp Leu Tyr His
C32H39N7O6 (617.2961674000001)
Trp Asn Ile Trp
C32H39N7O6 (617.2961674000001)
Trp Asn Leu Trp
C32H39N7O6 (617.2961674000001)
Trp Asn Trp Ile
C32H39N7O6 (617.2961674000001)
Trp Asn Trp Leu
C32H39N7O6 (617.2961674000001)
Trp Gln Glu Arg
Trp Gln Arg Glu
Trp Gln Val Trp
C32H39N7O6 (617.2961674000001)
Trp Gln Trp Val
C32H39N7O6 (617.2961674000001)
Trp Arg Ala Trp
C31H39N9O5 (617.3074003999999)
Trp Arg Glu Lys
Trp Arg Glu Gln
Trp Arg Lys Glu
Trp Arg Gln Glu
Trp Arg Arg Thr
C27H43N11O6 (617.3397617999999)
Trp Arg Thr Arg
C27H43N11O6 (617.3397617999999)
Trp Arg Trp Ala
C31H39N9O5 (617.3074003999999)
Trp Thr Arg Arg
C27H43N11O6 (617.3397617999999)
Trp Val Lys Trp
C33H43N7O5 (617.3325507999999)
Trp Val Gln Trp
C32H39N7O6 (617.2961674000001)
Trp Val Trp Lys
C33H43N7O5 (617.3325507999999)
Trp Val Trp Gln
C32H39N7O6 (617.2961674000001)
Trp Trp Ala Arg
C31H39N9O5 (617.3074003999999)
Trp Trp Ile Asn
C32H39N7O6 (617.2961674000001)
Trp Trp Lys Val
C33H43N7O5 (617.3325507999999)
Trp Trp Leu Asn
C32H39N7O6 (617.2961674000001)
Trp Trp Asn Ile
C32H39N7O6 (617.2961674000001)
Trp Trp Asn Leu
C32H39N7O6 (617.2961674000001)
Trp Trp Gln Val
C32H39N7O6 (617.2961674000001)
Trp Trp Arg Ala
C31H39N9O5 (617.3074003999999)
Trp Trp Val Lys
C33H43N7O5 (617.3325507999999)
Trp Trp Val Gln
C32H39N7O6 (617.2961674000001)
Trp Tyr His Ile
C32H39N7O6 (617.2961674000001)
Trp Tyr His Leu
C32H39N7O6 (617.2961674000001)
Trp Tyr Ile His
C32H39N7O6 (617.2961674000001)
Trp Tyr Leu His
C32H39N7O6 (617.2961674000001)
Tyr His Ile Trp
C32H39N7O6 (617.2961674000001)
Tyr His Leu Trp
C32H39N7O6 (617.2961674000001)
Tyr His Trp Ile
C32H39N7O6 (617.2961674000001)
Tyr His Trp Leu
C32H39N7O6 (617.2961674000001)
Tyr Ile His Trp
C32H39N7O6 (617.2961674000001)
Tyr Ile Trp His
C32H39N7O6 (617.2961674000001)
Tyr Leu His Trp
C32H39N7O6 (617.2961674000001)
Tyr Leu Trp His
C32H39N7O6 (617.2961674000001)
Tyr Trp His Ile
C32H39N7O6 (617.2961674000001)
Tyr Trp His Leu
C32H39N7O6 (617.2961674000001)
Tyr Trp Ile His
C32H39N7O6 (617.2961674000001)
Tyr Trp Leu His
C32H39N7O6 (617.2961674000001)
Rotigaptide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylazanium;iron
4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,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
C31H38F3N5O5 (617.2824893999999)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3S)-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
C31H38F3N5O5 (617.2824893999999)
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
1-(3,5-dimethyl-4-isoxazolyl)-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
C31H38F3N5O5 (617.2824893999999)
N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide
C34H43N5O6 (617.3213178000001)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3R)-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
C31H38F3N5O5 (617.2824893999999)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S)-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
C31H38F3N5O5 (617.2824893999999)
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-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
C31H38F3N5O5 (617.2824893999999)
1-(3,5-dimethyl-4-isoxazolyl)-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
C31H38F3N5O5 (617.2824893999999)
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo(pyridin-4-yl)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
C34H43N5O6 (617.3213178000001)
3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
2-amino-3-[[3-butanoyloxy-2-[(11Z,14Z,17Z)-icosa-11,14,17-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-octanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[[3-hexanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
3-[[3-acetyloxy-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
Cyclo(RADfK)
Cyclo(RADfK) is a selective α(v)β(3) integrin ligand that has been extensively used for research, therapy, and diagnosis of neoangiogenesis.
21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraene-5,9-diol
C37H44ClNO5 (617.2907843999999)
(4r,5r,6s,7s,8r,18s)-8-(acetyloxy)-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate
3-[(2s)-4-[(2e,4e,6s)-6-[(2s,5r,6r)-1,6-dimethyl-8,9-dioxaspiro[bicyclo[3.3.1]nonane-2,2'-oxiran]-3-en-7-yl]-4-methylhepta-2,4-dienoyl]-1-(5-hydroxy-6-methyloxan-2-yl)-3,5-dioxopyrrolidin-2-yl]propanoic acid; ethane
(1s,19s,22s,26r,31r)-2,22-dihydroxy-26-(2-hydroxypropan-2-yl)-1,9,9,11,11,31-hexamethyl-10,27-dioxa-3-azaheptacyclo[17.12.0.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹².0²²,³¹.0²³,²⁸]hentriaconta-2,4(16),5,7(12),14,23-hexaene-17,25-dione
14-benzoyl-8-o-methyl-aconine i
{"Ingredient_id": "HBIN001369","Ingredient_name": "14-benzoyl-8-o-methyl-aconine i","Alias": "NA","Ingredient_formula": "C33H47NO10","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)OC)OC)OC)O)COC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2248","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-deacetylyunaconitine
{"Ingredient_id": "HBIN013693","Ingredient_name": "8-deacetylyunaconitine","Alias": "NA","Ingredient_formula": "C33H47NO10","Ingredient_Smile": "CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OC(=O)C7=CC=C(C=C7)OC)O)OC)O)OC)OC)O)COC","Ingredient_weight": "617.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4791","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "137706281","DrugBank_id": "NA"}
n-benzyl-9-[(2r,3r,4r,5r)-3,4-dimethoxy-5-({[(2r,3r,4s,5r,6r)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine
C30H43N5O9 (617.3060628000001)
(1s,2r,5s,6s,8r,9s,10r,12s,15r,16s,25s,27s,28s)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraene-5,9-diol
C37H44ClNO5 (617.2907843999999)
4-[1-(acetyloxy)-2-(5-oxo-2h-furan-3-yl)ethyl]-2-(benzoyloxy)-3-hydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1h-naphthalen-1-yl pyridine-3-carboxylate
(1s)-1-[(1r,3ar,7s,9ar,9br,11r,11ar)-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-11-{[(2e)-3-phenylprop-2-enoyl]oxy}-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl pyridine-3-carboxylate
(1s,3r,5s,7r,9s,10r,12r,14r,15s,18r,19s,22s,23r)-4',10-dihydroxy-22-(hydroxymethyl)-7,18-dimethyl-19-(5-oxo-2h-furan-3-yl)-5'h-4,6,11-trioxaspiro[hexacyclo[12.11.0.0³,¹².0⁵,¹⁰.0¹⁵,²³.0¹⁸,²²]pentacosane-9,2'-[1,3]thiazole]-14-carbaldehyde
C32H43NO9S (617.2658388000001)
1-[(1s,3ar,3bs,7s,9ar,11r,11ar)-1,3a,3b,7-tetrahydroxy-9a,11a-dimethyl-11-{[(2e)-3-phenylprop-2-enoyl]oxy}-2h,3h,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]ethyl pyridine-3-carboxylate
(1s,2r,3r,4r,5s,6s,8r,9r,10r,13r,14r,16s,17s,18r)-11-ethyl-5,8,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate
(1s,2r,5s,6r,8s,9r,10r,12r,15s,16r,25r,27s,28s)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.0²,¹⁶.0⁵,¹⁵.0⁶,⁸.0⁶,¹².0¹⁷,³¹.0¹⁹,³⁰.0²²,²⁹.0²⁵,²⁸]tritriaconta-17(31),19,21,29-tetraene-5,9-diol
C37H44ClNO5 (617.2907843999999)
2-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxyhexylidene)amino]-4-(4-hydroxyphenyl)butylidene}amino)-4-(4-hydroxyphenyl)butylidene]amino}-3-phenylpropanoic acid
n-benzyl-9-[3,4-dimethoxy-5-({[3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxy}methyl)oxolan-2-yl]-n-methylpurin-6-amine
C30H43N5O9 (617.3060628000001)