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CHEBI:151770 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C36H63N3O26 |
| Net Charge | 0 |
| Average Mass | 953.895 |
| Monoisotopic Mass | 953.36998 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3-2/a3-b1_a6-d1_b6-c1_d4-e1 |
| InChI | InChI=1S/C36H63N3O26/c1-10(44)37-13(4-40)31(64-36-30(57)28(55)24(51)18(63-36)9-59-33-19(38-11(2)45)25(52)22(49)15(5-41)60-33)21(48)14(47)8-58-34-20(39-12(3)46)26(53)32(17(7-43)62-34)65-35-29(56)27(54)23(50)16(6-42)61-35/h13-36,40-43,47-57H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33+,34+,35-,36-/m0/s1 |
| InChIKey | MANRVQVCMYSPQB-PUSZRQSUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151770) is a N-acyl-hexosamine (CHEBI:21656) |