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CHEBI:68831 - [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate
| Formula | C111H183N7O41P2 |
| Net Charge | 0 |
| Average Mass | 2333.641 |
| Monoisotopic Mass | 2332.19252 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@@H](OP(=O)(O)OP(=O)(O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](C)[C@H]2NC(C)=O)O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O |
| InChI | InChI=1S/C111H183N7O41P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)51-52-144-160(140,141)159-161(142,143)158-110-89(117-76(19)130)103(84(70(13)145-110)112-71(14)125)156-108-88(116-75(18)129)96(137)100(81(56-122)150-108)153-106-86(114-73(16)127)94(135)101(82(57-123)148-106)154-109-90(118-77(20)131)104(157-111-98(139)97(138)92(133)79(54-120)147-111)102(83(58-124)151-109)155-107-87(115-74(17)128)95(136)99(80(55-121)149-107)152-105-85(113-72(15)126)93(134)91(132)78(53-119)146-105/h31,33,35,37,39,41,43,45,47,49,51,70,78-111,119-124,132-139H,21-30,32,34,36,38,40,42,44,46,48,50,52-58H2,1-20H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,131)(H,140,141)(H,142,143)/b60-33+,61-35+,62-37+,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-51-/t70-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91+,92-,93-,94-,95-,96-,97+,98-,99+,100+,101+,102+,103+,104-,105-,106-,107-,108-,109-,110-,111+/m1/s1 |
| InChIKey | UNWLHBGOABGYBQ-KHDDIPDUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68831) is a polyprenyl phospho oligosaccharide (CHEBI:26186) |
| [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68831) is conjugate acid of [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68654) |
| Incoming Relation(s) |
| [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68654) is conjugate base of [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68831) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-2,4-diacetamido-2,4,6-trideoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-[β-D-Glc-(1→3)]-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate | ChEBI |
| [N-acetyl-α-D-galactosaminyl-(1→4)]2-[β-D-glucosyl-(1→3)]-[N-acetyl-α-D-galactosaminyl-(1→4)]2-N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate | ChEBI |
| Citations |
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