Exact Mass: 509.17510920000007

Exact Mass Matches: 509.17510920000007

Found 112 metabolites which its exact mass value is equals to given mass value 509.17510920000007, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin

2-[(1E)-2,3-dihydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

C20H31NO14 (509.1744466)


Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin is found in coffee and coffee products. Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin is a constituent of jojoba meal (Simmonsia chinensis). Constituent of jojoba meal (Simmonsia chinensis). Di-demethylsimmondsin 4-alpha-D-glucoside is found in coffee and coffee products, fats and oils, and nuts.

   

3-OxoUndecanoyl-CoA

(2S)-2-{[(2S)-2-{[(2R)-2-{[(2S)-2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}-1-hydroxy-3-selanylpropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-4-methylpentanoate

C19H35N5O6Se (509.175242)


3-oxoundecanoyl-coa is an acyl-CoA or acyl-coenzyme A. More specifically, it is a 3-oxoundecanoic acid thioester of coenzyme A. 3-oxoundecanoyl-coa is an acyl-CoA with 11 fatty acid group as the acyl moiety attached to coenzyme A. Coenzyme A was discovered in 1946 by Fritz Lipmann (Journal of Biological Chemistry (1946) 162 (3): 743–744) and its structure was determined in the early 1950s at the Lister Institute in London. Coenzyme A is a complex, thiol-containing molecule that is naturally synthesized from pantothenate (vitamin B5), which is found in various foods such as meat, vegetables, cereal grains, legumes, eggs, and milk. More specifically, coenzyme A (CoASH or CoA) consists of a beta-mercaptoethylamine group linked to the vitamin pantothenic acid (B5) through an amide linkage and 3-phosphorylated ADP. Coenzyme A is synthesized in a five-step process that requires four molecules of ATP, pantothenate and cysteine. It is believed that there are more than 1100 types of acyl-CoA’s in the human body, which also corresponds to the number of acylcarnitines in the human body. Acyl-CoAs exists in all living species, ranging from bacteria to plants to humans. The general role of acyl-CoA’s is to assist in transferring fatty acids from the cytoplasm to mitochondria. This process facilitates the production of fatty acids in cells, which are essential in cell membrane structure. Acyl-CoAs are also susceptible to beta oxidation, forming, ultimately, acetyl-CoA. Acetyl-CoA can enter the citric acid cycle, eventually forming several equivalents of ATP. In this way, fats are converted to ATP -- or biochemical energy. Acyl-CoAs can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain acyl-CoAs; 2) medium-chain acyl-CoAs; 3) long-chain acyl-CoAs; and 4) very long-chain acyl-CoAs; 5) hydroxy acyl-CoAs; 6) branched chain acyl-CoAs; 7) unsaturated acyl-CoAs; 8) dicarboxylic acyl-CoAs and 9) miscellaneous acyl-CoAs. Short-chain acyl-CoAs have acyl-groups with two to four carbons (C2-C4), medium-chain acyl-CoAs have acyl-groups with five to eleven carbons (C5-C11), long-chain acyl-CoAs have acyl-groups with twelve to twenty carbons (C12-C20) while very long-chain acyl-CoAs have acyl groups with more than 20 carbons. 3-oxoundecanoyl-coa is therefore classified as a medium chain acyl-CoA. The oxidative degradation of fatty acids is a two-step process, catalyzed by acyl-CoA synthetase/synthase. Fatty acids are first converted to their acyl phosphate, the precursor to acyl-CoA. The latter conversion is mediated by acyl-CoA synthase. Three types of acyl-CoA synthases are employed, depending on the chain length of the fatty acid. 3-oxoundecanoyl-coa, being a medium chain acyl-CoA is a substrate for medium chain acyl-CoA synthase. The second step of fatty acid degradation is beta oxidation. Beta oxidation occurs in mitochondria and, in the case of very long chain acyl-CoAs, the peroxisome. After its formation in the cytosol, 3-OxoUndecanoyl-CoA is transported into the mitochondria, the locus of beta oxidation. Transport of 3-OxoUndecanoyl-CoA into the mitochondria requires carnitine palmitoyltransferase 1 (CPT1), which converts 3-OxoUndecanoyl-CoA into 3-OxoUndecanoylcarnitine, which gets transported into the mitochondrial matrix. Once in the matrix, 3-OxoUndecanoylcarnitine is converted back to 3-OxoUndecanoyl-CoA by CPT2, whereupon beta-oxidation can begin. Beta oxidation of 3-OxoUndecanoyl-CoA occurs in four steps. First, since 3-OxoUndecanoyl-CoA is a medium chain acyl-CoA it is the substrate for a medium chain acyl-CoA dehydrogenase, which catalyzes dehydrogenation of 3-OxoUndecanoyl-CoA, creating a double bond between the alpha and beta carbons. FAD is the hydrogen acceptor, yielding FADH2. Second, Enoyl-CoA hydrase catalyzes the addition of water across the newly formed double bond to make an alcohol. Third, 3-hydroxyacyl-CoA dehydrogenase oxidizes the alcohol group to a ketone and NADH is produc...

   

4,5-didemethyl-4-O-alpha-D-glucopyranosylsimmondsin

4,5-didemethyl-4-O-alpha-D-glucopyranosylsimmondsin

C20H31NO14 (509.1744466)


   
   
   

Ala Cys Met Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Ala Cys Trp Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C22H31N5O5S2 (509.1766516)


   

Ala Met Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Ala Met Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Ala Trp Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H31N5O5S2 (509.1766516)


   

Ala Trp Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Ala Met Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Ala Trp Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Cys Glu Arg

(4S)-4-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Cys Cys Arg Glu

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]pentanedioic acid

C17H31N7O7S2 (509.1726296)


   

Cys Cys Val Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Cys Trp Val

(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Glu Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-carboxybutanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C17H31N7O7S2 (509.1726296)


   

Cys Glu Arg Cys

(4S)-4-[(2R)-2-amino-3-sulfanylpropanamido]-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Cys His His Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C19H27N9O6S (509.1804922)


   

Cys His Asn His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H27N9O6S (509.1804922)


   

Cys Met Ala Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Met Trp Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Asn His His

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H27N9O6S (509.1804922)


   

Cys Arg Cys Glu

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]pentanedioic acid

C17H31N7O7S2 (509.1726296)


   

Cys Arg Glu Cys

(4S)-4-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Cys Val Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Val Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Trp Ala Met

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Trp Cys Val

(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Trp Met Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C22H31N5O5S2 (509.1766516)


   

Cys Trp Val Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Asp Asp Phe Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carboxypropanamido]-3-phenylpropanamido]-3-carbamoylpropanoic acid

C21H27N5O10 (509.17578420000007)


   

Asp Asp Asn Phe

(3S)-3-[(2S)-2-amino-3-carboxypropanamido]-3-{[(1S)-2-carbamoyl-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}ethyl]carbamoyl}propanoic acid

C21H27N5O10 (509.17578420000007)


   

Asp Phe Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C21H27N5O10 (509.17578420000007)


   

Asp Phe Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-carbamoylpropanamido]butanedioic acid

C21H27N5O10 (509.17578420000007)


   

Asp Asn Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C21H27N5O10 (509.17578420000007)


   

Asp Asn Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-carbamoylpropanamido]-3-phenylpropanamido]butanedioic acid

C21H27N5O10 (509.17578420000007)


   

Glu Cys Cys Arg

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C17H31N7O7S2 (509.1726296)


   

Glu Cys Arg Cys

(4S)-4-amino-4-{[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Glu Arg Cys Cys

(4S)-4-amino-4-{[(1S)-4-carbamimidamido-1-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Phe Asp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C21H27N5O10 (509.17578420000007)


   

Phe Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid

C21H27N5O10 (509.17578420000007)


   

Phe Asn Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]butanedioic acid

C21H27N5O10 (509.17578420000007)


   

His Cys His Asn

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanoic acid

C19H27N9O6S (509.1804922)


   

His Cys Asn His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H27N9O6S (509.1804922)


   

His His Cys Asn

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoic acid

C19H27N9O6S (509.1804922)


   

His His Asn Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanoic acid

C19H27N9O6S (509.1804922)


   

His Asn Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H27N9O6S (509.1804922)


   

His Asn His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C19H27N9O6S (509.1804922)


   

Met Ala Cys Trp

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Met Ala Trp Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]propanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Met Cys Ala Trp

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Met Cys Trp Ala

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C22H31N5O5S2 (509.1766516)


   

Met Trp Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Met Trp Cys Ala

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]propanoic acid

C22H31N5O5S2 (509.1766516)


   

Asn Cys His His

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H27N9O6S (509.1804922)


   

Asn Asp Asp Phe

(3S)-3-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid

C21H27N5O10 (509.17578420000007)


   

Asn Asp Phe Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carboxypropanamido]-3-phenylpropanamido]butanedioic acid

C21H27N5O10 (509.17578420000007)


   

Asn Phe Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-phenylpropanamido]-3-carboxypropanamido]butanedioic acid

C21H27N5O10 (509.17578420000007)


   

Asn His Cys His

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanamido]-3-(1H-imidazol-4-yl)propanoic acid

C19H27N9O6S (509.1804922)


   

Asn His His Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-(1H-imidazol-4-yl)propanamido]-3-sulfanylpropanoic acid

C19H27N9O6S (509.1804922)


   

Arg Cys Cys Glu

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]pentanedioic acid

C17H31N7O7S2 (509.1726296)


   

Arg Cys Glu Cys

(4S)-4-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-4-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Arg Glu Cys Cys

(4S)-4-[(2S)-2-amino-5-carbamimidamidopentanamido]-4-{[(1R)-1-{[(1R)-1-carboxy-2-sulfanylethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid

C17H31N7O7S2 (509.1726296)


   

Val Cys Cys Trp

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C22H31N5O5S2 (509.1766516)


   

Val Cys Trp Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-methylbutanamido]-3-sulfanylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Val Trp Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Ala Cys Met

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Ala Met Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Cys Ala Met

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]propanamido]-4-(methylsulfanyl)butanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Cys Cys Val

(2S)-2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Cys Met Ala

(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-4-(methylsulfanyl)butanamido]propanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Cys Val Cys

(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-sulfanylpropanamido]-3-methylbutanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Met Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]propanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Met Cys Ala

(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-sulfanylpropanamido]propanoic acid

C22H31N5O5S2 (509.1766516)


   

Trp Val Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C22H31N5O5S2 (509.1766516)


   

Dide-O-methyl-4-O-a-D-glucopyranosylsimmondsin

2-[(1E)-2,3-dihydroxy-4,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

C20H31NO14 (509.1744466)


   

Rhodium(1+),dichlorotetrakis(pyridine)-, chloride (1:1), (OC-6-12)-

Rhodium(1+),dichlorotetrakis(pyridine)-, chloride (1:1), (OC-6-12)-

C20H40Cl2N4Rh (509.168489)


   

(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

(4R,12aS)-N-[(2,4-Difluorophenyl)methyl]-3,4,6,8,12,12a-hexahydro-4-methyl-6,8-dioxo-7-(phenylmethoxy)-2H-pyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide

C27H25F2N3O5 (509.1762184)


   
   

2-[[[4-[bis(2-methoxyethyl)sulfamoyl]phenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

2-[[[4-[bis(2-methoxyethyl)sulfamoyl]phenyl]-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

C23H31N3O6S2 (509.1654186)


   

N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

C27H25F2N3O5 (509.1762184)


   

N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

C27H25F2N3O5 (509.1762184)


   

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F3N3O6 (509.17736120000006)


   

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F3N3O6 (509.17736120000006)


   

N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

C27H25F2N3O5 (509.1762184)


   

N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]pyridine-3-carboxamide

C27H25F2N3O5 (509.1762184)


   

4-chloro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4R,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

4-chloro-N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4R,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

4-chloro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4R,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F3N3O6 (509.17736120000006)


   

N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

C27H25F2N3O5 (509.1762184)


   

N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

C27H25F2N3O5 (509.1762184)


   

4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

4,4,4-trifluoro-N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

C21H30F3N3O6S (509.18073160000006)


   

4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

4,4,4-trifluoro-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

C21H30F3N3O6S (509.18073160000006)


   

4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide

C21H30F3N3O6S (509.18073160000006)


   

4-chloro-N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4R,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

4-chloro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

4-chloro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4S,7S,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

4-chloro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4S,7R,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

4-chloro-N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

4-chloro-N-[(4S,7S,8S)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide

C24H32ClN3O5S (509.17510920000007)


   

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

C24H26F3N3O6 (509.17736120000006)


   

N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide

C27H25F2N3O5 (509.1762184)


   

Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin

Dide-O-methyl-4-O-alpha-D-glucopyranosylsimmondsin

C20H31NO14 (509.1744466)


   
   

CYM 9484

CYM 9484

C27H31N3O3S2 (509.18067360000003)


CYM 9484 is a selective and highly potent neuropeptide Y (NPY) Y2 receptor antagonist with an IC50 value of 19 nM[1].

   

methyl (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3h,7h,8h-pyrrolo[3,2-e]indole-2-carboxylate

methyl (2r,8s)-4-hydroxy-2,8-dimethyl-1-oxo-6-(5,6,7-trimethoxy-1h-indole-2-carbonyl)-3h,7h,8h-pyrrolo[3,2-e]indole-2-carboxylate

C26H27N3O8 (509.17980620000003)


   

2-[2,4-dihydroxy-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

2-[2,4-dihydroxy-3,6-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

C20H31NO14 (509.1744466)


   

2-[(1z,2r,3r,4r,6s)-2,4-dihydroxy-3,6-bis({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

2-[(1z,2r,3r,4r,6s)-2,4-dihydroxy-3,6-bis({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})cyclohexylidene]acetonitrile

C20H31NO14 (509.1744466)


   

16,19-dihydroxy-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaene-12-carbonitrile

16,19-dihydroxy-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaene-12-carbonitrile

C26H27N3O8 (509.17980620000003)


   

(1r,2s,10r,12r,13r)-16,19-dihydroxy-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaene-12-carbonitrile

(1r,2s,10r,12r,13r)-16,19-dihydroxy-10-(hydroxymethyl)-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15,17,19-pentaene-12-carbonitrile

C26H27N3O8 (509.17980620000003)