Exact Mass: 577.3111478000001
Exact Mass Matches: 577.3111478000001
Found 381 metabolites which its exact mass value is equals to given mass value 577.3111478000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aplaviroc
Dihydroergocryptine
D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
PC(2:0/18:1(12Z)-O(9S,10R))
PC(2:0/18:1(12Z)-O(9S,10R)) 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(2:0/18:1(12Z)-O(9S,10R)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 9,10-epoxy-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 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(18:1(12Z)-O(9S,10R)/2:0)
PC(18:1(12Z)-O(9S,10R)/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(18:1(12Z)-O(9S,10R)/2:0), in particular, consists of one chain of one 9,10-epoxy-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 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(2:0/18:1(9Z)-O(12,13))
PC(2:0/18:1(9Z)-O(12,13)) 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(2:0/18:1(9Z)-O(12,13)), in particular, consists of one chain of one acetyl at the C-1 position and one chain of 12,13-epoxy-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 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(18:1(9Z)-O(12,13)/2:0)
PC(18:1(9Z)-O(12,13)/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(18:1(9Z)-O(12,13)/2:0), in particular, consists of one chain of one 12,13-epoxy-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 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).
Gln Lys Phe Arg
Phe Gln Arg Lys
16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based on: CCMSLIB00000847629]
16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone [IIN-based: Match]
Aplaviroc
CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3939; ORIGINAL_PRECURSOR_SCAN_NO 3936 D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D065147 - Viral Fusion Protein Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent D065147 - Viral Fusion Protein Inhibitors > D023581 - HIV Fusion Inhibitors C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3969; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3955; ORIGINAL_PRECURSOR_SCAN_NO 3954 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3951; ORIGINAL_PRECURSOR_SCAN_NO 3949 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3974; ORIGINAL_PRECURSOR_SCAN_NO 3972 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3966; ORIGINAL_PRECURSOR_SCAN_NO 3963 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8318; ORIGINAL_PRECURSOR_SCAN_NO 8316 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8332; ORIGINAL_PRECURSOR_SCAN_NO 8329 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8335; ORIGINAL_PRECURSOR_SCAN_NO 8333 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8354; ORIGINAL_PRECURSOR_SCAN_NO 8352 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8356; ORIGINAL_PRECURSOR_SCAN_NO 8354 CONFIDENCE standard compound; INTERNAL_ID 1231; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8364; ORIGINAL_PRECURSOR_SCAN_NO 8361
Glu His His Arg
Glu His Arg His
Glu Arg His His
Phe Phe His Lys
Phe Phe His Gln
C29H35N7O6 (577.2648690000001)
Phe Phe Lys His
Phe Phe Gln His
C29H35N7O6 (577.2648690000001)
Phe His Phe Lys
Phe His Phe Gln
C29H35N7O6 (577.2648690000001)
Phe His Lys Phe
Phe His Gln Phe
C29H35N7O6 (577.2648690000001)
Phe Ile Ile Trp
Phe Ile Leu Trp
Phe Ile Trp Ile
Phe Ile Trp Leu
Phe Lys Phe His
Phe Lys His Phe
Phe Lys Gln Arg
Phe Lys Arg Gln
Phe Leu Ile Trp
Phe Leu Leu Trp
Phe Leu Trp Ile
Phe Leu Trp Leu
Phe Gln Phe His
C29H35N7O6 (577.2648690000001)
Phe Gln His Phe
C29H35N7O6 (577.2648690000001)
Phe Gln Lys Arg
Phe Gln Gln Arg
Phe Gln Arg Gln
Phe Arg Lys Gln
Phe Arg Gln Lys
Phe Arg Gln Gln
Phe Trp Ile Ile
Phe Trp Ile Leu
Phe Trp Leu Ile
Phe Trp Leu Leu
His Glu His Arg
His Glu Arg His
His Phe Phe Lys
His Phe Phe Gln
C29H35N7O6 (577.2648690000001)
His Phe Lys Phe
His Phe Gln Phe
C29H35N7O6 (577.2648690000001)
His His Glu Arg
His His Arg Glu
His His Val Trp
His His Trp Val
His Lys Phe Phe
His Lys Met Tyr
C26H39N7O6S (577.2682394000001)
His Lys Tyr Met
C26H39N7O6S (577.2682394000001)
His Met Lys Tyr
C26H39N7O6S (577.2682394000001)
His Met Tyr Lys
C26H39N7O6S (577.2682394000001)
His Gln Phe Phe
C29H35N7O6 (577.2648690000001)
His Arg Glu His
His Arg His Glu
His Val His Trp
His Val Trp His
His Trp His Val
His Trp Val His
His Tyr Lys Met
C26H39N7O6S (577.2682394000001)
His Tyr Met Lys
C26H39N7O6S (577.2682394000001)
Ile Phe Ile Trp
Ile Phe Leu Trp
Ile Phe Trp Ile
Ile Phe Trp Leu
Ile Ile Phe Trp
Ile Ile Trp Phe
Ile Leu Phe Trp
Ile Leu Trp Phe
Ile Pro Trp Tyr
Ile Pro Tyr Trp
Ile Trp Phe Ile
Ile Trp Phe Leu
Ile Trp Ile Phe
Ile Trp Leu Phe
Ile Trp Pro Tyr
Ile Trp Tyr Pro
Ile Tyr Pro Trp
Ile Tyr Trp Pro
Lys Phe Phe His
Lys Phe His Phe
Lys Phe Gln Arg
Lys Phe Arg Gln
Lys His Phe Phe
Lys His Met Tyr
C26H39N7O6S (577.2682394000001)
Lys His Tyr Met
C26H39N7O6S (577.2682394000001)
Lys Met His Tyr
C26H39N7O6S (577.2682394000001)
Lys Met Asn Trp
C26H39N7O6S (577.2682394000001)
Lys Met Trp Asn
C26H39N7O6S (577.2682394000001)
Lys Met Tyr His
C26H39N7O6S (577.2682394000001)
Lys Asn Met Trp
C26H39N7O6S (577.2682394000001)
Lys Asn Trp Met
C26H39N7O6S (577.2682394000001)
Lys Gln Phe Arg
Lys Gln Arg Phe
Lys Arg Phe Gln
Lys Arg Gln Phe
Lys Trp Met Asn
C26H39N7O6S (577.2682394000001)
Lys Trp Asn Met
C26H39N7O6S (577.2682394000001)
Lys Tyr His Met
C26H39N7O6S (577.2682394000001)
Lys Tyr Met His
C26H39N7O6S (577.2682394000001)
Leu Phe Ile Trp
Leu Phe Leu Trp
Leu Phe Trp Ile
Leu Phe Trp Leu
Leu Ile Phe Trp
Leu Ile Trp Phe
Leu Leu Phe Trp
Leu Leu Trp Phe
Leu Pro Trp Tyr
Leu Pro Tyr Trp
Leu Trp Phe Ile
Leu Trp Phe Leu
Leu Trp Ile Phe
Leu Trp Leu Phe
Leu Trp Pro Tyr
Leu Trp Tyr Pro
Leu Tyr Pro Trp
Leu Tyr Trp Pro
Met His Lys Tyr
C26H39N7O6S (577.2682394000001)
Met His Tyr Lys
C26H39N7O6S (577.2682394000001)
Met Lys His Tyr
C26H39N7O6S (577.2682394000001)
Met Lys Asn Trp
C26H39N7O6S (577.2682394000001)
Met Lys Trp Asn
C26H39N7O6S (577.2682394000001)
Met Lys Tyr His
C26H39N7O6S (577.2682394000001)
Met Asn Lys Trp
C26H39N7O6S (577.2682394000001)
Met Asn Trp Lys
C26H39N7O6S (577.2682394000001)
Met Trp Lys Asn
C26H39N7O6S (577.2682394000001)
Met Trp Asn Lys
C26H39N7O6S (577.2682394000001)
Met Tyr His Lys
C26H39N7O6S (577.2682394000001)
Met Tyr Lys His
C26H39N7O6S (577.2682394000001)
Asn Lys Met Trp
C26H39N7O6S (577.2682394000001)
Asn Lys Trp Met
C26H39N7O6S (577.2682394000001)
Asn Met Lys Trp
C26H39N7O6S (577.2682394000001)
Asn Met Trp Lys
C26H39N7O6S (577.2682394000001)
Asn Trp Lys Met
C26H39N7O6S (577.2682394000001)
Asn Trp Met Lys
C26H39N7O6S (577.2682394000001)
Pro Ile Trp Tyr
Pro Ile Tyr Trp
Pro Leu Trp Tyr
Pro Leu Tyr Trp
Pro Trp Ile Tyr
Pro Trp Leu Tyr
Pro Trp Tyr Ile
Pro Trp Tyr Leu
Pro Tyr Ile Trp
Pro Tyr Leu Trp
Pro Tyr Trp Ile
Pro Tyr Trp Leu
Gln Phe Phe His
C29H35N7O6 (577.2648690000001)
Gln Phe His Phe
C29H35N7O6 (577.2648690000001)
Gln Phe Lys Arg
Gln Phe Gln Arg
Gln Phe Arg Lys
Gln Phe Arg Gln
Gln His Phe Phe
C29H35N7O6 (577.2648690000001)
Gln Lys Arg Phe
Gln Gln Phe Arg
Gln Gln Arg Phe
Gln Arg Phe Lys
Gln Arg Phe Gln
Gln Arg Lys Phe
Gln Arg Gln Phe
Arg Glu His His
Arg Phe Lys Gln
Arg Phe Gln Lys
Arg Phe Gln Gln
Arg His Glu His
Arg His His Glu
Arg Lys Phe Gln
Arg Lys Gln Phe
Arg Gln Phe Lys
Arg Gln Phe Gln
Arg Gln Lys Phe
Arg Gln Gln Phe
Val His His Trp
Val His Trp His
Val Trp His His
Trp Phe Ile Ile
Trp Phe Ile Leu
Trp Phe Leu Ile
Trp Phe Leu Leu
Trp His His Val
Trp His Val His
Trp Ile Phe Ile
Trp Ile Phe Leu
Trp Ile Ile Phe
Trp Ile Leu Phe
Trp Ile Pro Tyr
Trp Ile Tyr Pro
Trp Lys Met Asn
C26H39N7O6S (577.2682394000001)
Trp Lys Asn Met
C26H39N7O6S (577.2682394000001)
Trp Leu Phe Ile
Trp Leu Phe Leu
Trp Leu Ile Phe
Trp Leu Leu Phe
Trp Leu Pro Tyr
Trp Leu Tyr Pro
Trp Met Lys Asn
C26H39N7O6S (577.2682394000001)
Trp Met Asn Lys
C26H39N7O6S (577.2682394000001)
Trp Asn Lys Met
C26H39N7O6S (577.2682394000001)
Trp Asn Met Lys
C26H39N7O6S (577.2682394000001)
Trp Pro Ile Tyr
Trp Pro Leu Tyr
Trp Pro Tyr Ile
Trp Pro Tyr Leu
Trp Val His His
Trp Tyr Ile Pro
Trp Tyr Leu Pro
Trp Tyr Pro Ile
Trp Tyr Pro Leu
Tyr His Lys Met
C26H39N7O6S (577.2682394000001)
Tyr His Met Lys
C26H39N7O6S (577.2682394000001)
Tyr Ile Pro Trp
Tyr Ile Trp Pro
Tyr Lys His Met
C26H39N7O6S (577.2682394000001)
Tyr Lys Met His
C26H39N7O6S (577.2682394000001)
Tyr Leu Pro Trp
Tyr Leu Trp Pro
Tyr Met His Lys
C26H39N7O6S (577.2682394000001)
Tyr Met Lys His
C26H39N7O6S (577.2682394000001)
Tyr Pro Ile Trp
Tyr Pro Leu Trp
Tyr Pro Trp Ile
Tyr Pro Trp Leu
Tyr Trp Ile Pro
Tyr Trp Leu Pro
Tyr Trp Pro Ile
Tyr Trp Pro Leu
Epicriptine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
ETHYL 2-((5-(4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-8-CYCLOPENTYL-5-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
tert-butyl 2-((4S,6S)-6-((E)-2-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)vinyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
Dihydroergocryptine
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
Methyl N-{(4s,5s)-5-[(L-Alanyl-L-Alanyl)amino]-4-Hydroxy-6-Phenylhexanoyl}-L-Valyl-L-Valinate
(E)-N-(4-((4-Ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl)-4-methylbenzamide
HG6-64-1 is a potent and selective B-Raf inhibitor extracted from patent WO 2011090738 A2, example 9 (XI-1); has a IC50 of 0.09 μM on B-raf V600E transformed Ba/F3 cells.
[(2R)-3-acetyloxy-2-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
[(2R)-2-acetyloxy-3-[(Z)-11-(3-pentyloxiran-2-yl)undec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Cyclo(N-methyl-L-alanyl-beta-alanyl-(2R)-2-hydroxy-4-pentenoyl-L-prolyl-L-isoleucyl-N-methyl-L-valyl)
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
Dihydro-beta-ergocryptine
beta-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10.
N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(2S,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
(1S)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(2R,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide
N-[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methoxybenzenesulfonamide
(1R)-1-(hydroxymethyl)-7-methoxy-N-(4-methoxyphenyl)-2-[2-(4-morpholinyl)-1-oxoethyl]-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4-piperidine]carboxamide
2-amino-3-[[3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
2-amino-3-[hydroxy-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-propanoyloxypropoxy]phosphoryl]oxypropanoic acid
C27H48NO10P (577.3015677999999)
2-amino-3-[[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxy-3-pentanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
C27H48NO10P (577.3015677999999)
2-amino-3-[[3-butanoyloxy-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
C27H48NO10P (577.3015677999999)
3-[[3-acetyloxy-2-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid
C27H48NO10P (577.3015677999999)
dihydro-alpha-ergocryptine
alpha-Ergocryptine in which a single bond replaces the double bond between positions 9 and 10.
(2e,8z,10e)-12,14-dihydroxy-15-(hydroxymethyl)-3-methyl-6-[(5e,7e)-1,2,4-trihydroxy-3,5,7-trimethylnona-5,7-dien-1-yl]-5-oxa-17-thia-19-azabicyclo[14.2.1]nonadeca-1(18),2,8,10,16(19)-pentaen-4-one
C30H43NO8S (577.2709238000001)
3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
C34H35N5O4 (577.2688909999999)
19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0¹,²⁰.0⁴,¹⁹.0⁵,¹⁶.0⁶,¹⁴.0⁸,¹³]heptacosa-6(14),8,10,12,20-pentaen-24-yl 2-(acetyloxy)-2-methylpropanoate
(3s,6s,9s,21as)-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-16-(prop-2-en-1-yl)-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone
(3s,6s,9s,16s,21as)-3-[(2r)-butan-2-yl]-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-16-(prop-2-en-1-yl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone
(1r,2s,3s,4s,5r,6s,8r,12s,13s,16r,19s,20r,21s)-21-(acetyloxy)-14-ethyl-2-hydroxy-6,19-dimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-4-yl (2s)-2-methylbutanoate
(3s,6s,9s,16s,21as)-3-[(2s)-butan-2-yl]-1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-16-(prop-2-en-1-yl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone
(2e,10z,12e)-7,8,14,16-tetrahydroxy-6-[(4e,6e)-3-hydroxy-4,6-dimethylocta-4,6-dien-2-yl]-17-(hydroxymethyl)-3-methyl-5-oxa-19-thia-21-azabicyclo[16.2.1]henicosa-1(20),2,10,12,18(21)-pentaen-4-one
C30H43NO8S (577.2709238000001)
(3s,6s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
C34H35N5O4 (577.2688909999999)
1,10-dihydroxy-6-isopropyl-5,8,9-trimethyl-16-(prop-2-en-1-yl)-3-(sec-butyl)-3h,6h,9h,12h,13h,16h,19h,20h,21h,21ah-pyrrolo[1,2-d]1-oxa-4,7,10,13,16-pentaazacyclononadecane-4,7,14,17-tetrone
(4r)-4-[(1r,2r,3r,3as,3br,5r,5ar,7s,9ar,9bs,11ar)-2,3,5,5a,7-pentahydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-n-[(2s)-1-hydroxy-3-sulfopropan-2-yl]pentanimidic acid
C27H47NO10S (577.2920522000001)
(3s,9s,14ar)-3,9-dibenzyl-1,4,7-trihydroxy-6-(1h-indol-3-ylmethyl)-3h,6h,9h,12h,13h,14h,14ah-pyrrolo[1,2-a]1,4,7,10-tetraazacyclododecan-10-one
C34H35N5O4 (577.2688909999999)