Exact Mass: 513.2481740000001
Exact Mass Matches: 513.2481740000001
Found 500 metabolites which its exact mass value is equals to given mass value 513.2481740000001
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DAMGO
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004745 - Enkephalins KEIO_ID A226; [MS2] KO008836 KEIO_ID A226; [MS3] KO008837 KEIO_ID A226 DAMGO is a μ-opioid receptor (μ-OPR ) selective agonist with a Kd of 3.46 nM for native μ-OPR[1].
Glycolithocholate sulphate
Sulfolithocholylglycine is an acyl glycine and a bile acid-glycine conjugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct therefore exist in a glycine conjugated form (PMID:16949895). Sulfolithocholylglycine is a sulfated bile acids which has a greater renal clearance rate than lithocholylglycine. [HMDB] Sulfolithocholylglycine is an acyl glycine and a bile acid-glycine conjugate. It is a secondary bile acid produced by the action of enzymes existing in the microbial flora of the colonic environment. In hepatocytes, both primary and secondary bile acids undergo amino acid conjugation at the C-24 carboxylic acid on the side chain, and almost all bile acids in the bile duct, therefore, exist in a glycine conjugated form (PMID: 16949895). Sulfolithocholylglycine is a sulfated bile acid which has a greater renal clearance rate than lithocholylglycine. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids Glycolithocholic acid 3-sulfate (SLCG) is a cholic acid derivative and a metabolite of glycolithocholic acid. Glycolithocholic acid 3-sulfate inhibits replication of HIV-1 in vitro. Glycolithocholic acid 3-sulfate can be used for the research of HIV infection and gallbladder disease[1][2].
Sulfoglycolithocholate(2-)
Sulfoglycolithocholate(2-) is also known as Sulfoglycolithocholic acid or Glycolithocholic acid sulfuric acid. Sulfoglycolithocholate(2-) is considered to be practically insoluble (in water) and acidic. It is a microbial metabolite.
2-Amino-N-[1-[[2-[[1-(2-hydroxyethylamino)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
MG(LTE4/0:0/0:0)
MG(LTE4/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/LTE4/0:0)
MG(0:0/LTE4/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols 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 other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids 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 lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation 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 MG backbone, mainly through the action of LOX (PMID: 33329396).
Ser Asp His Arg
1,2-bis(heptanoylthio) Glycerophosphocholine
Thr Lys His Glu
C21H35N7O8 (513.2546990000001)
His Gln Thr Glu
His Glu Thr Lys
C21H35N7O8 (513.2546990000001)
C28H35NO8_2-[1-Hydroxy-1,4-dimethyl-4-(4-methyl-3-penten-1-yl)-7-oxo-2,3,3a,4,7,9,10a,10b-octahydro-5,10-dioxa-8-azadicyclopenta[b,def]phenanthren-8(1H)-yl]pentanedioic acid
Glyco 3a-sulfate-5b-cholanic acid
BA-144-150. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-144-120. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-144-90. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-144-60. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan. BA-144-30. In-source decay; 1 microL of the bile acid in MeOH solution was flow injected. Sampling interval was 1 Hz.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 17HP8021 (2017) to the MassBank database committee of the Mass Spectrometry Society of Japan.
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
2-((R)-4-((3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid
2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid
2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid
Ala Phe Asn Tyr
Ala Phe Tyr Asn
Ala His Met Arg
C20H35N9O5S (513.2481740000001)
Ala His Arg Met
C20H35N9O5S (513.2481740000001)
Ala His Thr Trp
Ala His Trp Thr
Ala Met His Arg
C20H35N9O5S (513.2481740000001)
Ala Met Arg His
C20H35N9O5S (513.2481740000001)
Ala Asn Phe Tyr
Ala Asn Tyr Phe
Ala Arg His Met
C20H35N9O5S (513.2481740000001)
Ala Arg Met His
C20H35N9O5S (513.2481740000001)
Ala Thr His Trp
Ala Thr Trp His
Ala Trp His Thr
Ala Trp Thr His
Ala Tyr Phe Asn
Ala Tyr Asn Phe
Cys His Arg Val
C20H35N9O5S (513.2481740000001)
Cys His Val Arg
C20H35N9O5S (513.2481740000001)
Cys Lys Thr Tyr
Cys Lys Tyr Thr
Cys Arg His Val
C20H35N9O5S (513.2481740000001)
Cys Arg Val His
C20H35N9O5S (513.2481740000001)
Cys Thr Lys Tyr
Cys Thr Tyr Lys
Cys Val His Arg
C20H35N9O5S (513.2481740000001)
Cys Val Arg His
C20H35N9O5S (513.2481740000001)
Cys Tyr Lys Thr
Cys Tyr Thr Lys
Asp His Arg Ser
Asp His Ser Arg
Asp Pro Pro Trp
Asp Pro Trp Pro
Asp Arg His Ser
Asp Arg Ser His
Asp Ser His Arg
Asp Ser Arg His
Asp Trp Pro Pro
Glu His Lys Thr
C21H35N7O8 (513.2546990000001)
Glu His Thr Lys
C21H35N7O8 (513.2546990000001)
Glu Lys His Thr
C21H35N7O8 (513.2546990000001)
Glu Lys Thr His
C21H35N7O8 (513.2546990000001)
Glu Thr His Lys
C21H35N7O8 (513.2546990000001)
Glu Thr Lys His
C21H35N7O8 (513.2546990000001)
Phe Ala Asn Tyr
Phe Ala Tyr Asn
Phe Phe Asn Ser
Phe Phe Ser Asn
Phe Gly Lys Tyr
Phe Gly Gln Tyr
Phe Gly Tyr Lys
Phe Gly Tyr Gln
Phe His Asn Pro
Phe His Pro Asn
Phe Lys Gly Tyr
Phe Lys Tyr Gly
Phe Asn Ala Tyr
Phe Asn Phe Ser
Phe Asn His Pro
Phe Asn Pro His
Phe Asn Ser Phe
Phe Asn Tyr Ala
Phe Pro His Asn
Phe Pro Asn His
Phe Gln Gly Tyr
Phe Gln Tyr Gly
Phe Ser Phe Asn
Phe Ser Asn Phe
Phe Tyr Ala Asn
Phe Tyr Gly Lys
Phe Tyr Gly Gln
Phe Tyr Lys Gly
Phe Tyr Asn Ala
Phe Tyr Gln Gly
Gly Phe Lys Tyr
Gly Phe Gln Tyr
Gly Phe Tyr Lys
Gly Phe Tyr Gln
Gly Lys Phe Tyr
Gly Lys Tyr Phe
Gly Gln Phe Tyr
Gly Gln Tyr Phe
Gly Tyr Phe Lys
Gly Tyr Phe Gln
Gly Tyr Lys Phe
Gly Tyr Gln Phe
His Ala Met Arg
C20H35N9O5S (513.2481740000001)
His Ala Arg Met
C20H35N9O5S (513.2481740000001)
His Ala Thr Trp
His Ala Trp Thr
His Cys Arg Val
C20H35N9O5S (513.2481740000001)
His Cys Val Arg
C20H35N9O5S (513.2481740000001)
His Asp Arg Ser
His Asp Ser Arg
His Glu Lys Thr
C21H35N7O8 (513.2546990000001)
His Phe Asn Pro
His Phe Pro Asn
His Ile Met Asn
His Ile Asn Met
His Lys Glu Thr
C21H35N7O8 (513.2546990000001)
His Lys Met Val
His Lys Thr Glu
C21H35N7O8 (513.2546990000001)
His Lys Val Met
His Leu Met Asn
His Leu Asn Met
His Met Ala Arg
C20H35N9O5S (513.2481740000001)
His Met Ile Asn
His Met Lys Val
His Met Leu Asn
His Met Asn Ile
His Met Asn Leu
His Met Gln Val
His Met Arg Ala
C20H35N9O5S (513.2481740000001)
His Met Val Lys
His Met Val Gln
His Asn Phe Pro
His Asn Ile Met
His Asn Leu Met
His Asn Met Ile
His Asn Met Leu
His Asn Pro Phe
His Pro Phe Asn
His Pro Asn Phe
His Gln Met Val
His Gln Val Met
His Arg Ala Met
C20H35N9O5S (513.2481740000001)
His Arg Cys Val
C20H35N9O5S (513.2481740000001)
His Arg Asp Ser
His Arg Met Ala
C20H35N9O5S (513.2481740000001)
His Arg Ser Asp
His Arg Thr Thr
His Arg Val Cys
C20H35N9O5S (513.2481740000001)
His Ser Asp Arg
His Ser Arg Asp
His Thr Ala Trp
His Thr Glu Lys
C21H35N7O8 (513.2546990000001)
His Thr Lys Glu
C21H35N7O8 (513.2546990000001)
His Thr Arg Thr
His Thr Thr Arg
His Thr Trp Ala
His Val Cys Arg
C20H35N9O5S (513.2481740000001)
His Val Lys Met
His Val Met Lys
His Val Met Gln
His Val Gln Met
His Val Arg Cys
C20H35N9O5S (513.2481740000001)
His Trp Ala Thr
His Trp Thr Ala
Ile His Met Asn
Ile His Asn Met
Ile Met His Asn
Ile Met Asn His
Ile Asn His Met
Ile Asn Met His
Lys Cys Thr Tyr
Lys Cys Tyr Thr
Lys Glu His Thr
C21H35N7O8 (513.2546990000001)
Lys Glu Thr His
C21H35N7O8 (513.2546990000001)
Lys Phe Gly Tyr
Lys Phe Tyr Gly
Lys Gly Phe Tyr
Lys Gly Tyr Phe
Lys His Glu Thr
C21H35N7O8 (513.2546990000001)
Lys His Met Val
Lys His Thr Glu
C21H35N7O8 (513.2546990000001)
Lys His Val Met
Lys Met His Val
Lys Met Val His
Lys Thr Cys Tyr
Lys Thr Glu His
C21H35N7O8 (513.2546990000001)
Lys Thr His Glu
C21H35N7O8 (513.2546990000001)
Lys Thr Tyr Cys
Lys Val His Met
Lys Val Met His
Lys Tyr Cys Thr
Lys Tyr Phe Gly
Lys Tyr Gly Phe
Lys Tyr Thr Cys
Leu His Met Asn
Leu His Asn Met
Leu Met His Asn
Leu Met Asn His
Leu Asn His Met
Leu Asn Met His
Met Ala His Arg
C20H35N9O5S (513.2481740000001)
Met Ala Arg His
C20H35N9O5S (513.2481740000001)
Met His Ala Arg
C20H35N9O5S (513.2481740000001)
Met His Ile Asn
Met His Lys Val
Met His Leu Asn
Met His Asn Ile
Met His Asn Leu
Met His Gln Val
Met His Arg Ala
C20H35N9O5S (513.2481740000001)
Met His Val Lys
Met His Val Gln
Met Ile His Asn
Met Ile Asn His
Met Lys His Val
Met Lys Val His
Met Leu His Asn
Met Leu Asn His
Met Asn His Ile
Met Asn His Leu
Met Asn Ile His
Met Asn Leu His
Met Gln His Val
Met Gln Val His
Met Arg Ala His
C20H35N9O5S (513.2481740000001)
Met Arg His Ala
C20H35N9O5S (513.2481740000001)
Met Val His Lys
Met Val His Gln
Met Val Lys His
Met Val Gln His
Asn Ala Phe Tyr
Asn Ala Tyr Phe
Asn Phe Ala Tyr
Asn Phe Phe Ser
Asn Phe His Pro
Asn Phe Pro His
Asn Phe Ser Phe
Asn Phe Tyr Ala
Asn His Phe Pro
Asn His Ile Met
Asn His Leu Met
Asn His Met Ile
Asn His Met Leu
Asn His Pro Phe
Asn Ile His Met
Asn Ile Met His
Asn Leu His Met
Asn Leu Met His
Asn Met His Ile
Asn Met His Leu
Asn Met Ile His
Asn Met Leu His
Asn Pro Phe His
Asn Pro His Phe
Asn Pro Gln Arg
Asn Pro Arg Gln
Asn Gln Pro Arg
Asn Gln Arg Pro
Asn Arg Pro Gln
Asn Arg Gln Pro
Asn Ser Phe Phe
Asn Tyr Ala Phe
Asn Tyr Phe Ala
Pro Asp Pro Trp
Pro Asp Trp Pro
Pro Phe His Asn
Pro Phe Asn His
Pro His Phe Asn
Pro His Asn Phe
Pro Asn Phe His
Pro Asn His Phe
Pro Asn Gln Arg
Pro Asn Arg Gln
Pro Pro Asp Trp
Pro Pro Trp Asp
Pro Gln Asn Arg
Pro Gln Arg Asn
Pro Arg Asn Gln
Pro Arg Gln Asn
Pro Trp Asp Pro
Pro Trp Pro Asp
Gln Phe Gly Tyr
Gln Phe Tyr Gly
Gln Gly Phe Tyr
Gln Gly Tyr Phe
Gln His Met Val
Gln His Val Met
Gln Met His Val
Gln Met Val His
Gln Asn Pro Arg
Gln Asn Arg Pro
Gln Pro Asn Arg
Gln Pro Arg Asn
Gln Arg Asn Pro
Gln Arg Pro Asn
Gln Val His Met
Gln Val Met His
Gln Tyr Phe Gly
Gln Tyr Gly Phe
Arg Ala His Met
C20H35N9O5S (513.2481740000001)
Arg Ala Met His
C20H35N9O5S (513.2481740000001)
Arg Cys His Val
C20H35N9O5S (513.2481740000001)
Arg Cys Val His
C20H35N9O5S (513.2481740000001)
Arg Asp His Ser
Arg Asp Ser His
Arg His Ala Met
C20H35N9O5S (513.2481740000001)
Arg His Cys Val
C20H35N9O5S (513.2481740000001)
Arg His Asp Ser
Arg His Met Ala
C20H35N9O5S (513.2481740000001)
Arg His Ser Asp
Arg His Thr Thr
Arg His Val Cys
C20H35N9O5S (513.2481740000001)
Arg Met Ala His
C20H35N9O5S (513.2481740000001)
Arg Met His Ala
C20H35N9O5S (513.2481740000001)
Arg Asn Pro Gln
Arg Asn Gln Pro
Arg Pro Asn Gln
Arg Pro Gln Asn
Arg Gln Asn Pro
Arg Gln Pro Asn
Arg Ser Asp His
Arg Ser His Asp
Arg Thr His Thr
Arg Thr Thr His
Arg Val Cys His
C20H35N9O5S (513.2481740000001)
Arg Val His Cys
C20H35N9O5S (513.2481740000001)
Ser Asp Arg His
Ser Phe Phe Asn
Ser Phe Asn Phe
Ser His Asp Arg
Ser His Arg Asp
Ser Asn Phe Phe
Ser Arg Asp His
Ser Arg His Asp
Thr Ala His Trp
Thr Ala Trp His
Thr Cys Lys Tyr
Thr Cys Tyr Lys
Thr Glu His Lys
C21H35N7O8 (513.2546990000001)
Thr Glu Lys His
C21H35N7O8 (513.2546990000001)
Thr His Ala Trp
Thr His Glu Lys
C21H35N7O8 (513.2546990000001)
Thr His Lys Glu
C21H35N7O8 (513.2546990000001)
Thr His Arg Thr
Thr His Thr Arg
Thr His Trp Ala
Thr Lys Cys Tyr
Thr Lys Glu His
C21H35N7O8 (513.2546990000001)
Thr Lys Tyr Cys
Thr Arg His Thr
Thr Arg Thr His
Thr Thr His Arg
Thr Thr Arg His
Thr Trp Ala His
Thr Trp His Ala
Thr Tyr Cys Lys
Thr Tyr Lys Cys
Val Cys His Arg
C20H35N9O5S (513.2481740000001)
Val Cys Arg His
C20H35N9O5S (513.2481740000001)
Val His Cys Arg
C20H35N9O5S (513.2481740000001)
Val His Lys Met
Val His Met Lys
Val His Met Gln
Val His Gln Met
Val His Arg Cys
C20H35N9O5S (513.2481740000001)
Val Lys His Met
Val Lys Met His
Val Met His Lys
Val Met His Gln
Val Met Lys His
Val Met Gln His
Val Gln His Met
Val Gln Met His
Val Arg Cys His
C20H35N9O5S (513.2481740000001)
Val Arg His Cys
C20H35N9O5S (513.2481740000001)
Trp Ala His Thr
Trp Ala Thr His
Trp Asp Pro Pro
Trp His Ala Thr
Trp His Thr Ala
Trp Pro Asp Pro
Trp Pro Pro Asp
Trp Thr Ala His
Trp Thr His Ala
Tyr Ala Phe Asn
Tyr Ala Asn Phe
Tyr Cys Lys Thr
Tyr Cys Thr Lys
Tyr Phe Ala Asn
Tyr Phe Gly Lys
Tyr Phe Gly Gln
Tyr Phe Lys Gly
Tyr Phe Asn Ala
Tyr Phe Gln Gly
Tyr Gly Phe Lys
Tyr Gly Phe Gln
Tyr Gly Lys Phe
Tyr Gly Gln Phe
Tyr Lys Cys Thr
Tyr Lys Phe Gly
Tyr Lys Gly Phe
Tyr Lys Thr Cys
Tyr Asn Ala Phe
Tyr Asn Phe Ala
Tyr Gln Phe Gly
Tyr Gln Gly Phe
Tyr Thr Cys Lys
Tyr Thr Lys Cys
2-[1-Hydroxy-1,4-dimethyl-4-(4-methyl-3-penten-1-yl)-7-oxo-2,3,3a,4,7,9,10a,10b-octahydro-5,10-dioxa-8-azadicyclopenta[b,def]phenanthren-8(1H)-yl]pentanedioic acid
buta-1,3-diene,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol,2-methylprop-2-enoic acid,prop-2-enenitrile
C29H36ClNO5 (513.2281876000001)
2-[(1S,2S)-1-Ethyl-2-benzyloxypropyl]-2,4-dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
C30H35N5O3 (513.2739760000001)
2,8-bis(dimethylamino)-10-dodecyl-acridinium bromide
2-acetamido-N-[(2S,4R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide
(2E)-4-[(2S,4R,5R)-4,5-dihydroxy-5-({3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)-3-oxooxan-2-yl]-3-methylbut-2-enoate
5,7-Dimethoxy-4-methyl-8-[3-(4-morpholinyl)-1-(3,4,5-trimethoxyphenyl)propyl]-1-benzopyran-2-one
3,12-Dihydroxy-7-oxocholanoyltaurine
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
N-[[(4R,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-2-pyridin-4-ylacetamide
1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[(4R,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7R,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
[(1R)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
N-[(2R,3S)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea
N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[(4R,7R,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7S,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7S,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4R,7S,8R)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[(4S,7R,8S)-5-[(2-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[[(10S,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylmethanesulfonamide
N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
1-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-2-methoxyethanone
[(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-9-methyl-1-methylsulfonyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
1-[(1R)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4-piperidine]yl]-2-methoxyethanone
2-((4R)-4-((3R,5R,6S,7R,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid
2-((4R)-4-((5R,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid
[1-acetyloxy-3-[2-aminoethoxy(hydroxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
2-((R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enamido)ethane-1-sulfonic acid
phosphatidylethanolamine 20:5 zwitterion
A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 20 carbons in total with 5 double bonds.
Sulfoglycolithocholic acid
The 3-O-sulfo derivative of glycolithocholic acid.
(2s,3s)-2-{[(2e,4e,6e,8e,10e,12e,14e)-15-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene]amino}-3-methylpentanoic acid
anhydroharringtonine
{"Ingredient_id": "HBIN016160","Ingredient_name": "anhydroharringtonine","Alias": "NA","Ingredient_formula": "C28H35NO8","Ingredient_Smile": "CC1(CCC(O1)(CC(=O)OC)C(=O)OC2C3C4=CC5=C(C=C4CCN6C3(CCC6)C=C2OC)OCO5)C","Ingredient_weight": "513.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1270","TCMSP_id": "NA","TCM_ID_id": "19543","PubChem_id": "101022088","DrugBank_id": "NA"}
anhydroxyharringtonine
{"Ingredient_id": "HBIN016177","Ingredient_name": "anhydroxyharringtonine","Alias": "NA","Ingredient_formula": "C28H35NO8","Ingredient_Smile": "CC1(CCC(O1)(CC(=O)OC)C(=O)OC2C3C4=CC5=C(C=C4CCN6C3(CCC6)C=C2OC)OCO5)C","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "24975","TCMSP_id": "NA","TCM_ID_id": "6764","PubChem_id": "NA","DrugBank_id": "NA"}
3-{[7-(3-chloro-2-hydroxy-3-methylbutyl)-5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methyl}-6-methyl-3,6-dihydropyrazine-2,5-diol
C29H40ClN3O3 (513.2758040000001)
n-[(2s,4r,5r)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-(4-methoxyphenyl)propanimidic acid
[(1e,4r,6r,7z,9z)-3-(2-aminoethyl)-10-cyclohexyl-1-[(2r,3s)-3-ethyl-6-oxo-2,3-dihydropyran-2-yl]-3,6-dihydroxydeca-1,7,9-trien-4-yl]oxyphosphonic acid
{[(4r)-4-[(1r,3as,3br,5ar,7r,9as,9bs,11ar)-9a,11a-dimethyl-7-(sulfooxy)-tetradecahydro-1h-cyclopenta[a]phenanthren-1-yl]-1-hydroxypentylidene]amino}acetic acid
(1r,2s,5s,6r,10r,11s,12r,15r,19s)-6-(furan-3-yl)-1,5,10,15-tetramethyl-18-oxo-13-oxapentacyclo[10.6.1.0²,¹⁰.0⁵,⁹.0¹⁵,¹⁹]nonadeca-8,16-dien-11-yl pyridine-4-carboxylate
2-[(15-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]-c-hydroxycarbonimidoyl}-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene)amino]-3-methylpentanoic acid
[(1e,7e,9e)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl]oxyphosphonic acid
n-[(2s,4r)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-(4-methoxyphenyl)propanimidic acid
(3r,6r)-3-({7-[(2s)-3-chloro-2-hydroxy-3-methylbutyl]-5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl}methyl)-6-methyl-3,6-dihydropyrazine-2,5-diol
C29H40ClN3O3 (513.2758040000001)