Exact Mass: 841.389072

Exact Mass Matches: 841.389072

Found 29 metabolites which its exact mass value is equals to given mass value 841.389072, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

CDP-DG 24:0

1,2-Didodecanoyl-sn-glycero-3-cytidine-5-diphosphate

C36H65N3O15P2 (841.389072)


   

CDP-DG(i-12:0/i-12:0)

({[(2R)-2,3-bis[(10-methylundecanoyl)oxy]propoxy](hydroxy)phosphoryl}oxy)({[(2R,3R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinate

C36H65N3O15P2 (841.389072)


CDP-DG(i-12:0/i-12:0) is a cytidine diphosphate diacylglycerol or CDP-diacylglycerol (CDP-DG). CDP-diacylglycerol is an important branchpoint intermediate in eukaryotic phospholipid biosynthesis and could be a key regulatory molecule in phospholipid metabolism. It is a glycerophospholipid in which a cytidine diphosphate moiety occupies a glycerol substitution site. As is the case with diacylglycerols, CDP-diacylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. CDP-DG(i-12:0/i-12:0), in particular, consists of one chain of isododecanoic acid at the C-1 position and one chain of isododecanoic acid at the C-2 position. Cytidine diphosphate diacylglycerols are rarely noticed in analyses of lipid compositions of tissues, as they are present is such small amounts (perhaps only 0.05\\% or so of the total phospholipids).

   

Senktide

3-[(3-Carboxy-1-hydroxypropylidene)amino]-3-[(1-{[1-({[(1-{[1-(C-hydroxycarbonimidoyl)-3-(methylsulphanyl)propyl]-C-hydroxycarbonimidoyl}-3-methylbutyl)-C-hydroxycarbonimidoyl]methyl}-C-hydroxycarbonimidoyl)-2-phenylethyl](methyl)carbamoyl}-2-phenylethyl)-C-hydroxycarbonimidoyl]propanoic acid

C40H55N7O11S (841.368008)


   
   
   

Succinyl-(Asp6,N-Me-Phe8)-Substance P (6-11)

N-(1-{[1-({[1-(1-Carbamoyl-3-methylsulfanyl-propylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-phenyl-ethyl]-methyl-carbamoyl}-2-phenyl-ethyl)-3-(3-carboxy-propionylamino)-succinamic acid

C40H55N7O11S (841.368008)


Senktide is a tachykinin NK3 receptor agonist.

   

1,2-Didodecanoyl-sn-glycero-3-cytidine 5-diphosphate

1,2-Didodecanoyl-sn-glycero-3-cytidine 5-diphosphate

C36H65N3O15P2 (841.389072)


A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as dodecanoyl.

   
   
   

cyclo(RLsKDK) (TFA)

cyclo(RLsKDK) (TFA)

C33H58F3N11O11 (841.4269154)


cyclo(RLsKDK) (TFA) (BK-1361 (TFA)) is a specific inhibitor of metalloproteinase ADAM8 with an IC50 value of 182 nM. cyclo(RLsKDK) (TFA) has potential applications in inflammatory diseases and cancer[1].

   

3-[(3s,6r,9z,12s,15s,16r)-3-[(2s)-butan-2-yl]-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

3-[(3s,6r,9z,12s,15s,16r)-3-[(2s)-butan-2-yl]-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

C41H59N7O12 (841.4221494000001)


   

3-[(9z)-9-ethylidene-5,8,11,14-tetrahydroxy-15-({1-hydroxy-2-[(1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

3-[(9z)-9-ethylidene-5,8,11,14-tetrahydroxy-15-({1-hydroxy-2-[(1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

C41H59N7O12 (841.4221494000001)


   

3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2s)-1-hydroxy-2-{[(2s)-1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

C41H59N7O12 (841.4221494000001)


   

(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

(2s)-2-({[(3s,9s,12s,15r)-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

C45H59N7O9 (841.4374044000001)


   

2-[({3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]-3-phenylpropanoic acid

2-[({3-benzyl-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]-3-phenylpropanoic acid

C45H59N7O9 (841.4374044000001)


   

methyl (1s,2r,4r)-4-{[(2s,4s,5s,6s)-4-(dimethylamino)-5-{[(2r,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r,4r)-4-{[(2s,4s,5s,6s)-4-(dimethylamino)-5-{[(2r,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

C43H55NO16 (841.3520669999999)


   

3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid

3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-2-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid

C41H59N7O12 (841.4221494000001)


   

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5r,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5r,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

C43H55NO16 (841.3520669999999)


   

3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2r)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

3-[(3s,6r,9z,12s,15s,16r)-9-ethylidene-5,8,11,14-tetrahydroxy-15-{[(2r)-1-hydroxy-2-{[(2s)-1-hydroxy-2-{[(2e)-1-hydroxy-2-methylbut-2-en-1-ylidene]amino}-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl]propanoic acid

C41H59N7O12 (841.4221494000001)


   

(2s,4r)-4-[({2-[(1r,3r)-1-(acetyloxy)-3-[(2s,3s)-2-({hydroxy[(2r)-1-methylpiperidin-2-yl]methylidene}amino)-3-methyl-n-{[(3-methylbut-2-enoyl)oxy]methyl}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid

(2s,4r)-4-[({2-[(1r,3r)-1-(acetyloxy)-3-[(2s,3s)-2-({hydroxy[(2r)-1-methylpiperidin-2-yl]methylidene}amino)-3-methyl-n-{[(3-methylbut-2-enoyl)oxy]methyl}pentanamido]-4-methylpentyl]-1,3-thiazol-4-yl}(hydroxy)methylidene)amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid

C43H63N5O10S (841.4295418)


   

(2r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

(2r)-2-({[(3s,6s,9s,12s,15r)-3-benzyl-12-[(2s)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-8-oxo-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

C45H59N7O9 (841.4374044000001)


   

3-phenyl-2-[({2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid

3-phenyl-2-[({2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid

C45H59N7O9 (841.4374044000001)


   

(2s)-2-({[(3s,9s,12s,15r)-12-[(2r)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

(2s)-2-({[(3s,9s,12s,15r)-12-[(2r)-butan-2-yl]-2,5,11,14-tetrahydroxy-9-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-3-(2-phenylethyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl]-c-hydroxycarbonimidoyl}amino)-3-phenylpropanoic acid

C45H59N7O9 (841.4374044000001)


   

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

C43H55NO16 (841.3520669999999)


   

3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid

3-(9-ethylidene-5,8,11,14-tetrahydroxy-15-{[1-hydroxy-2-({1-hydroxy-2-[(1-hydroxy-3-methylbut-2-en-1-ylidene)amino]-3-methylbutylidene}amino)-3-(4-hydroxyphenyl)propylidene]amino}-12,16-dimethyl-3-(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13-tetraazacyclohexadeca-4,7,10,13-tetraen-6-yl)propanoic acid

C41H59N7O12 (841.4221494000001)


   

3-phenyl-2-[({2,5,11,14-tetrahydroxy-3-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-9-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid

3-phenyl-2-[({2,5,11,14-tetrahydroxy-3-[2-(4-hydroxyphenyl)ethyl]-7-methyl-8-oxo-9-(2-phenylethyl)-12-(sec-butyl)-1,4,7,10,13-pentaazacyclononadeca-1,4,10,13-tetraen-15-yl}-c-hydroxycarbonimidoyl)amino]propanoic acid

C45H59N7O9 (841.4374044000001)


   

methyl (1s,2r,4s)-4-{[(2s,4s,5r,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5r,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1s,2r,4s)-4-{[(2s,4s,5r,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5r,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

C43H55NO16 (841.3520669999999)