| CAS Number | 16789-38-1 |
| Catalog Number | AG00AOEO(AGN-PC-0Q944Y) |
| Chemical Name | LACTO-N-DIFUCOHEXAOSE I |
| IUPAC Name | N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide |
| InChI | InChI=1S/C38H65NO29/c1-9-18(48)23(53)26(56)35(59-9)65-30-16(8-44)63-34(67-32-22(52)15(7-43)61-37(28(32)58)64-29(13(47)5-41)20(50)12(46)4-40)17(39-11(3)45)31(30)66-38-33(25(55)21(51)14(6-42)62-38)68-36-27(57)24(54)19(49)10(2)60-36/h4,9-10,12-38,41-44,46-58H,5-8H2,1-3H3,(H,39,45)/t9-,10-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25-,26-,27-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,38-/m0/s1 |
| InChI Key | OQIUPKPUOLIHHS-URTONSIPSA-N |
| MDL Number | MFCD00792848 |
| Molecular Formula | C38H65NO29 |
| Molecular Weight | 999.9120 |
| SMILES | O([C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1[C@@H](NC(=O)C)[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]2O)O[C@H](CO)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
| Synonyms | lacto-N-difucohexaose I,
16789-38-1,
Leb-lactose,
Lewis-b hexasaccharide,
AKOS024418727,
Lacto-N-difucohexaose I,
LNDFH I,
|A-L-Fuc-(1 inverted exclamation marku2)-|A-D-Gal-(1 inverted exclamation marku3)[|A-L-Fuc-(1 inverted exclamation marku4)]-|A-D-GlcNAc-(1 inverted exclamation marku3)-|A-D-Gal-(1 inverted exclamation marku4)-D-Glc,
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