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77356-46-8 , a-Gal epitope type II;
Gala1-3Galb1-4GlcNAc ;
Blood Group B type II linear trisaccharide
Cas:77356-46-8
C20H35NO16 / 545.49
Blood Group B type II linear trisaccharide
*Core antigen fragment in ABO blood group system*
| CAS Number | 77356-46-8 |
| Product Name | alpha-Galactose-(1-3)-N-acetyllactosamine |
| IUPAC Name | N-[(2R,3R,4R,5R)-5,6-dihydroxy-1-oxo-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide |
| Molecular Formula | C20H35NO16 |
| Molecular Weight | 545.49 g/mol |
| InChI | InChI=1S/C20H35NO16/c1-6(26)21-7(2-22)17(36-19-15(32)13(30)11(28)9(4-24)34-19)18(8(27)3-23)37-20-16(33)14(31)12(29)10(5-25)35-20/h2,7-20,23-25,27-33H,3-5H2,1H3,(H,21,26)/t7-,8+,9+,10+,11-,12-,13-,14-,15+,16+,17+,18+,19-,20+/m0/s1 |
| InChI Key | NSTZVLOIOXVFME-DDPRLCHJSA-N |
| SMILES | CC(=O)NC(C=O)C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O |
| Synonyms | AGNALA, alpha-D-galactose-(1-3)-N-acetyllactosamine, alpha-galactose-(1-3)-N-acetyllactosamine |
| Canonical SMILES | CC(=O)NC(C=O)C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O |
| Isomeric SMILES | CC(=O)N[C@@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O |
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