Exact Mass: 820.3054538
Exact Mass Matches: 820.3054538
Found 54 metabolites which its exact mass value is equals to given mass value 820.3054538,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Sialyl-Lewis X
(2S,4S,5R,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-1,2-dihydroxy-5-[(1-hydroxyethylidene)amino]-6-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Carbohydrate antigen which is accumulated in various human cancer tissues and secreted into the blood stream. The carbohydrate moiety can be further modified with fucose or sialic acid. Monoclonal antibodies have been determined which can discriminate each subgroup of this antigen in the sera of cancer patients. Sialyl SSEA-1 antigen is particularly elevated in the sera of patients with a variety of tumors. [HMDB] Carbohydrate antigen which is accumulated in various human cancer tissues and secreted into the blood stream. The carbohydrate moiety can be further modified with fucose or sialic acid. Monoclonal antibodies have been determined which can discriminate each subgroup of this antigen in the sera of cancer patients. Sialyl SSEA-1 antigen is particularly elevated in the sera of patients with a variety of tumors.
3-Sialyl Lewis
(2S,4S,5R,6R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,4R,5R)-5,6-dihydroxy-2-[(1-hydroxyethylidene)amino]-1-oxo-4-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}hexan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
3-Sialyl Lewis tetrasaccharide, is a tumor-associated carbohydrate antigen. It is used as a tumor marker in colon and pancreatic cancer. When the selectin family of adhesion molecules was described, it was found that 3-Sialyl Lewis, along with sialyl Lewis(x) antigen, is a ligand for E-selectin, responsible for adhesion of several types of human carcinoma cells to endothelium. It has been suggested that such interactions play an important role in the formation of metastases by colon and pancreatic cancer cells. (PMID:12362971) [HMDB] 3-Sialyl Lewis tetrasaccharide, is a tumor-associated carbohydrate antigen. It is used as a tumor marker in colon and pancreatic cancer. When the selectin family of adhesion molecules was described, it was found that 3-Sialyl Lewis, along with sialyl Lewis(x) antigen, is a ligand for E-selectin, responsible for adhesion of several types of human carcinoma cells to endothelium. It has been suggested that such interactions play an important role in the formation of metastases by colon and pancreatic cancer cells. (PMID:12362971). C307 - Biological Agent > C268 - Antigen > C912 - Tumor Antigen
sialyl Lewis x antigen
2-{[3,5-dihydroxy-2-({6-hydroxy-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
sialyl-lewisx
2-{[2-({1,2-dihydroxy-5-[(1-hydroxyethylidene)amino]-6-oxo-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]hexan-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
3-SLeX
5-acetamido-2-[2-[5-acetamido-1,2-dihydroxy-6-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
Sialyl lea tri
5-acetamido-2-[2-[2-acetamido-5,6-dihydroxy-1-oxo-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranose
3,4,6,9,14a-pentakis(acetyloxy)-2,9,13-trimethyl-5-methylidene-14-oxo-2-(pyridine-3-carbonyloxy)-1h,3h,3ah,4h,6h,7h,8h,10h,13h-cyclopenta[13]annulen-8-yl pyridine-3-carboxylate
3,4,6,9,14a-pentakis(acetyloxy)-2,9,13-trimethyl-5-methylidene-14-oxo-2-(pyridine-3-carbonyloxy)-1h,3h,3ah,4h,6h,7h,8h,10h,13h-cyclopenta[13]annulen-8-yl pyridine-3-carboxylate
methyl (2r)-2-(acetyloxy)-2-[(1s,2r,3r,5r,7r,8r,9r,10r,11r,12r,13s,14r,16r,17s)-9,10,17-tris(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-1,11,16-trihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate
methyl (2r)-2-(acetyloxy)-2-[(1s,2r,3r,5r,7r,8r,9r,10r,11r,12r,13s,14r,16r,17s)-9,10,17-tris(acetyloxy)-8-[(s)-(acetyloxy)(furan-3-yl)methyl]-1,11,16-trihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate
(1s,4as,6s,7r,7ar)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4r,5r,6s)-5-ethenyl-4-{[(2r,4s)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,4as,6s,7r,7ar)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4r,5r,6s)-5-ethenyl-4-{[(2r,4s)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
methyl 2-(acetyloxy)-2-[9,10,17-tris(acetyloxy)-8-[(acetyloxy)(furan-3-yl)methyl]-1,11,16-trihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate
methyl 2-(acetyloxy)-2-[9,10,17-tris(acetyloxy)-8-[(acetyloxy)(furan-3-yl)methyl]-1,11,16-trihydroxy-5-isopropyl-8,12,14-trimethyl-4,18-dioxahexacyclo[12.2.1.1²,⁵.0³,⁷.0³,¹¹.0¹²,¹⁶]octadecan-13-yl]acetate
17-[(acetyloxy)(furan-3-yl)methyl]-3,19-dihydroxy-9-methoxy-16,21-bis(2-methoxy-2-oxoethyl)-2,5,9,14,17-pentamethyl-8,10,13,15,20-pentaoxaheptacyclo[12.5.1.1²,⁵.0¹,¹².0³,⁷.0⁷,¹¹.0¹²,¹⁶]henicosan-6-yl 2,3-dimethyloxirane-2-carboxylate
17-[(acetyloxy)(furan-3-yl)methyl]-3,19-dihydroxy-9-methoxy-16,21-bis(2-methoxy-2-oxoethyl)-2,5,9,14,17-pentamethyl-8,10,13,15,20-pentaoxaheptacyclo[12.5.1.1²,⁵.0¹,¹².0³,⁷.0⁷,¹¹.0¹²,¹⁶]henicosan-6-yl 2,3-dimethyloxirane-2-carboxylate
(1r,2r,3r,6s,7s,9r,11r,12s,16s,17s,19r,21s)-17-[(s)-(acetyloxy)(furan-3-yl)methyl]-3,19-dihydroxy-9-methoxy-16,21-bis(2-methoxy-2-oxoethyl)-2,5,9,14,17-pentamethyl-8,10,13,15,20-pentaoxaheptacyclo[12.5.1.1²,⁵.0¹,¹².0³,⁷.0⁷,¹¹.0¹²,¹⁶]henicosan-6-yl 2,3-dimethyloxirane-2-carboxylate
(1r,2r,3r,6s,7s,9r,11r,12s,16s,17s,19r,21s)-17-[(s)-(acetyloxy)(furan-3-yl)methyl]-3,19-dihydroxy-9-methoxy-16,21-bis(2-methoxy-2-oxoethyl)-2,5,9,14,17-pentamethyl-8,10,13,15,20-pentaoxaheptacyclo[12.5.1.1²,⁵.0¹,¹².0³,⁷.0⁷,¹¹.0¹²,¹⁶]henicosan-6-yl 2,3-dimethyloxirane-2-carboxylate
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 5-methyl-4-[(3-phenylprop-2-enoyl)oxy]-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 5-methyl-4-[(3-phenylprop-2-enoyl)oxy]-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 5-methyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate
4-(acetyloxy)-3-{[4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl 5-methyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate
(1r,2r,3r,5r,6s,7s,9r,11r,12s,14r,16s,17s,19r,21s)-17-[(s)-(acetyloxy)(furan-3-yl)methyl]-3,19-dihydroxy-9-methoxy-16,21-bis(2-methoxy-2-oxoethyl)-2,5,9,14,17-pentamethyl-8,10,13,15,20-pentaoxaheptacyclo[12.5.1.1²,⁵.0¹,¹².0³,⁷.0⁷,¹¹.0¹²,¹⁶]henicosan-6-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
(1r,2r,3r,5r,6s,7s,9r,11r,12s,14r,16s,17s,19r,21s)-17-[(s)-(acetyloxy)(furan-3-yl)methyl]-3,19-dihydroxy-9-methoxy-16,21-bis(2-methoxy-2-oxoethyl)-2,5,9,14,17-pentamethyl-8,10,13,15,20-pentaoxaheptacyclo[12.5.1.1²,⁵.0¹,¹².0³,⁷.0⁷,¹¹.0¹²,¹⁶]henicosan-6-yl (2s,3r)-2,3-dimethyloxirane-2-carboxylate
(2r,3r,3as,4r,6r,8r,9r,13r,14ar)-3,4,6,9,14a-pentakis(acetyloxy)-2,9,13-trimethyl-5-methylidene-14-oxo-2-(pyridine-3-carbonyloxy)-1h,3h,3ah,4h,6h,7h,8h,10h,13h-cyclopenta[13]annulen-8-yl pyridine-3-carboxylate
(2r,3r,3as,4r,6r,8r,9r,13r,14ar)-3,4,6,9,14a-pentakis(acetyloxy)-2,9,13-trimethyl-5-methylidene-14-oxo-2-(pyridine-3-carbonyloxy)-1h,3h,3ah,4h,6h,7h,8h,10h,13h-cyclopenta[13]annulen-8-yl pyridine-3-carboxylate
(1s,4as,6s,7r,7ar)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4r,5r,6s)-5-ethenyl-4-{[(2s,5s)-5-hydroxy-1,3-dioxan-2-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,4as,6s,7r,7ar)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4r,5r,6s)-5-ethenyl-4-{[(2s,5s)-5-hydroxy-1,3-dioxan-2-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(2s,3r,4s,5r,6r)-4-(acetyloxy)-3-{[(2s,3r,4s,5r,6r)-4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3's,3'ar,4r,5s,6'r,7'as)-5-methyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate
(2s,3r,4s,5r,6r)-4-(acetyloxy)-3-{[(2s,3r,4s,5r,6r)-4-(acetyloxy)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-2-yl (2s,3's,3'ar,4r,5s,6'r,7'as)-5-methyl-4-{[(2e)-3-phenylprop-2-enoyl]oxy}-hexahydrodispiro[oxane-2,2'-[1]benzofuran-3',2''-oxirane]-6'-carboxylate
13,29-dimethyl 9,25-dimethoxy-4,20,35,41-tetraoxo-5,21-dioxa-13,29,36,42-tetraazaundecacyclo[20.10.6.6⁶,¹⁷.0¹,³⁶.0³,³⁰.0⁶,¹⁴.0⁷,¹².0¹⁴,¹⁹.0²²,³⁰.0²³,²⁸.0¹⁷,⁴²]tetratetraconta-7,9,11,23,25,27,33,39-octaene-13,29-dicarboxylate
13,29-dimethyl 9,25-dimethoxy-4,20,35,41-tetraoxo-5,21-dioxa-13,29,36,42-tetraazaundecacyclo[20.10.6.6⁶,¹⁷.0¹,³⁶.0³,³⁰.0⁶,¹⁴.0⁷,¹².0¹⁴,¹⁹.0²²,³⁰.0²³,²⁸.0¹⁷,⁴²]tetratetraconta-7,9,11,23,25,27,33,39-octaene-13,29-dicarboxylate
(1s,4as,6s,7r,7ar)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4s,5r,6s)-5-ethenyl-4-{[(2r,4r)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
(1s,4as,6s,7r,7ar)-4-(methoxycarbonyl)-7-methyl-1-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-6-yl (4s,5r,6s)-5-ethenyl-4-{[(2r,4r)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]methyl}-6-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6-dihydro-4h-pyran-3-carboxylate
13,29-dimethyl (1r,3r,6r,14r,17r,19r,22r,30r)-9,25-dimethoxy-4,20,35,41-tetraoxo-5,21-dioxa-13,29,36,42-tetraazaundecacyclo[20.10.6.6⁶,¹⁷.0¹,³⁶.0³,³⁰.0⁶,¹⁴.0⁷,¹².0¹⁴,¹⁹.0²²,³⁰.0²³,²⁸.0¹⁷,⁴²]tetratetraconta-7,9,11,23,25,27,33,39-octaene-13,29-dicarboxylate
13,29-dimethyl (1r,3r,6r,14r,17r,19r,22r,30r)-9,25-dimethoxy-4,20,35,41-tetraoxo-5,21-dioxa-13,29,36,42-tetraazaundecacyclo[20.10.6.6⁶,¹⁷.0¹,³⁶.0³,³⁰.0⁶,¹⁴.0⁷,¹².0¹⁴,¹⁹.0²²,³⁰.0²³,²⁸.0¹⁷,⁴²]tetratetraconta-7,9,11,23,25,27,33,39-octaene-13,29-dicarboxylate