75645-24-8 , Gangliotetraose ,
Asialo GM1 oligosaccharide
Asialo-GM1-tetrasaccharide;
b1-3Gal-N-acetyl galactosaminyl-b1-4 Gal-b1-4-Glc; ;
Gal-b1,3-GalNAc-b1,4-Gal-b1,4-Glc
C26H45NO21 / 707.64
MFCD05663667
b1-3Gal-N-acetyl galactosaminyl-b1-4 Gal-b1-4-Glc; ; Gal-b1,3-GalNAc-b1,4-Gal-b1,4-Glc
CAS Number | 75645-24-8 |
Product Name | Gangliotetraose |
IUPAC Name | N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide |
Molecular Formula | C26H45NO21 |
Molecular Weight | 707.6 g/mol |
InChI | InChI=1S/C26H45NO21/c1-7(33)27-13-23(48-25-19(41)17(39)15(37)10(4-30)44-25)16(38)11(5-31)43-24(13)47-22-12(6-32)45-26(20(42)18(22)40)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,17-,18+,19+,20+,21+,22-,23+,24-,25-,26-/m0/s1 |
InChI Key | HCXIEPLIUZXCMD-NLFJORDCSA-N |
SMILES | CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)CO)O)OC3C(C(C(C(O3)CO)O)O)O |
Synonyms | gangliotetraose, Gg4 asialo-oligosaccharide |
Canonical SMILES | CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)O)OC(C(CO)O)C(C(C=O)O)O)CO)CO)O)OC3C(C(C(C(O3)CO)O)O)O |
Isomeric SMILES | CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)CO)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O |
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