114661-01-7 , STN Epitope; 6-O-a-Sialyl-2-acetamido-2-deoxy-a-D-galactopyranosyl-1-O-serine ;
2-Acetamido-6-O-(a-2-N-acetylneuraminyl)-2-deoxy-a-D-galactopyranosyl serine
C22H37N3O16 / 599.54
MFCD01320461
2-Acetamido-6-O-(a-2-N-acetylneuraminyl)-2-deoxy-a-D-galactopyranosyl serine
2-Acetamido-6-O-(a-2-N-acetylneuraminyl)-2-deoxy-a-D-galactopyranosyl serine is a monosaccharide sugar that is the terminal sugar at the nonreducing end of the glycosidic linkage in gangliosides. It has been shown to be a marker for colorectal adenocarcinoma and may be used as a prognostic marker. 2-Acetamido-6-O-(a-2-N-acetylneuraminyl)-2-deoxy--aDgalactopyranosyl serine, along with other gangliosides, has been found to be elevated in maternal blood and human serum during bowel diseases such as ulcerative colitis. This molecule has also been shown to have structural similarities to antigens that are associated with infectious diseases such as malaria.
CAS Number | 114661-01-7 |
Product Name | STn Epitope |
IUPAC Name | 5-acetamido-2-[[5-acetamido-6-(2-amino-2-carboxyethoxy)-3,4-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid |
Molecular Formula | C₂₂H₃₇N₃O₁₆ |
Molecular Weight | 599.5 g/mol |
InChI | InChI=1S/C22H37N3O16/c1-7(27)24-13-10(29)3-22(21(36)37,41-18(13)15(31)11(30)4-26)39-6-12-16(32)17(33)14(25-8(2)28)20(40-12)38-5-9(23)19(34)35/h9-18,20,26,29-33H,3-6,23H2,1-2H3,(H,24,27)(H,25,28)(H,34,35)(H,36,37) |
InChI Key | RMINQIRDFIBNLE-NNRWGFCXSA-N |
SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OCC(C(=O)O)N)NC(=O)C)O)O)O |
Synonyms | Serinyl 2-Acetamido-2-deoxy-6-O-(α-2-N-Acetylnuraminyl)-α-D-galactopyranosyl; 6-O-α-Sialyl-2-acetamido-2-deoxy-α-D-galactopyranosyl-1-O-L-serine; O-[2-(acetylamino)-6-O-(N-acetyl-α-neuraminosyl)-2-deoxy-α-D-galactopyranosyl]-L-serine; |
Canonical SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2C(C(C(C(O2)OCC(C(=O)O)N)NC(=O)C)O)O)O |
Isomeric SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)OC[C@@H](C(=O)O)N)NC(=O)C)O)O)O |
联系人:邢经理
手机: 18310328607 , 13621067991,13552979007
电话:86+10-61274189
邮箱:chemsynlab@163.com, zhangchao@chemsynlab.com
地址: 北京市大兴区金苑路26号1幢4层411室