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CHEBI:148060 - N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide
| Formula | C38H67NO31 |
| Net Charge | 0 |
| Average Mass | 1033.930 |
| Monoisotopic Mass | 1033.36970 |
| SMILES | CC(=O)N[C@@H](CO)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O)[C@H](O)CO |
| WURCS | WURCS=2.0/3,6,5/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-3-3-3/a4-b1_b3-c1_b6-d1_d3-e1_e2-f1 |
| InChI | InChI=1S/C38H67NO31/c1-9(46)39-10(2-40)17(48)30(11(47)3-41)67-37-29(60)32(68-35-26(57)23(54)18(49)12(4-42)63-35)22(53)16(66-37)8-61-34-28(59)31(21(52)15(7-45)62-34)69-38-33(25(56)20(51)14(6-44)65-38)70-36-27(58)24(55)19(50)13(5-43)64-36/h10-38,40-45,47-60H,2-8H2,1H3,(H,39,46)/t10-,11+,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 |
| InChIKey | AYBPWMHEBSVEQP-GJDHSHJMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4S,5R)-4-[(2S,3S,4S,5R,6R)-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide (CHEBI:148060) is a oligosaccharide (CHEBI:50699) |