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CHEBI:68424 - β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→2)-β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→4)-[α-D-GalN-(1→2)]-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo

ChEBI IDCHEBI:68424
ChEBI Nameβ-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→2)-β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→4)-[α-D-GalN-(1→2)]-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo
Stars
ASCII Namebeta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->2)-beta-D-QuiN4Fm-(1->4)-alpha-D-GalNAcAN-(1->4)-alpha-D-GalNAcAN-(1->3)-beta-D-QuiNAc-(1->4)-[alpha-D-GalN-(1->2)]-[alpha-D-Glc-(1->3)]-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo
DefinitionAn amino oligosaccharide that is a branched tetradecasaccharide derivative comprised of a mannose residue to which is linked an N-acetylgalactosaminyl residue at O-2, a glucosyl residue at O-3 and a β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→2)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→2)-β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc octasaccharide chain at O-4, all linked to an [α-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo branched trisaccharide unit.
Last Modified10 September 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC100H161N13O68
Net Charge0
Average Mass2633.411
Monoisotopic Mass2631.95399
SMILES[H]C(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]4[C@H](O)[C@@H](C)O[C@@H](O[C@H]5[C@H](O[C@@H]6[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]7[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@H]8[C@H](O)[C@@H](C)O[C@@H](O[C@H]9[C@H](O[C@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@H](O[C@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10N)[C@H](O[C@H]%10[C@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)[C@@H](O[C@@H]%11[C@H](O)C[C@](O)(C(=O)O)O[C@]%11([H])[C@H](O)CO)O[C@@H]%10CO)O[C@@H]9CO)[C@@H]8NC(C)=O)O[C@@H]7C(N)=O)O[C@@H]6C(N)=O)O[C@H](C)[C@@H](NC([H])=O)[C@@H]5O)[C@@H]4NC(C)=O)O[C@@H]3C(N)=O)O[C@@H]2C(N)=O)O[C@@H]1C
InChIInChI=1S/C100H161N13O68/c1-20-38(106-18-120)52(136)60(144)93(155-20)171-72-56(140)42(110-26(7)124)89(178-79(72)84(104)150)169-70-55(139)41(109-25(6)123)88(177-77(70)82(102)148)168-69-45(113-29(10)127)92(158-23(4)47(69)131)173-74-53(137)39(107-19-121)21(2)156-96(74)172-73-57(141)43(111-27(8)125)90(179-80(73)85(105)151)170-71-54(138)40(108-24(5)122)87(176-78(71)83(103)149)167-68-44(112-28(9)126)91(157-22(3)46(68)130)166-67-36(17-119)163-98(81(180-86-37(101)51(135)48(132)32(13-115)159-86)76(67)175-95-62(146)59(143)50(134)34(15-117)161-95)165-66-35(16-118)162-97(75(63(66)147)174-94-61(145)58(142)49(133)33(14-116)160-94)164-64-30(128)11-100(154,99(152)153)181-65(64)31(129)12-114/h18-23,30-81,86-98,114-119,128-147,154H,11-17,101H2,1-10H3,(H2,102,148)(H2,103,149)(H2,104,150)(H2,105,151)(H,106,120)(H,107,121)(H,108,122)(H,109,123)(H,110,124)(H,111,125)(H,112,126)(H,113,127)(H,152,153)/t20-,21-,22-,23-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49-,50-,51-,52+,53+,54-,55-,56-,57-,58+,59+,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75+,76+,77+,78+,79+,80+,81+,86-,87+,88+,89+,90+,91+,92+,93+,94+,95-,96+,97-,98+,100-/m1/s1
InChIKeyGEGFIDQJDXEUEK-MDDMICQCSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→2)-β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→4)-[α-D-GalN-(1→2)]-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo (CHEBI:68424) is a amino oligosaccharide (CHEBI:22483)
β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→2)-β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-D-QuiNAc-(1→4)-[α-D-GalN-(1→2)]-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo (CHEBI:68424) is a galactosamine oligosaccharide (CHEBI:22484)
IUPAC Name 
4,6-dideoxy-4-formamido-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranuronamidyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranuronamidyl-(1→3)-2-acetamido-2,6-dideoxy-β-D-glucopyranosyl-(1→2)-4,6-dideoxy-4-formamido-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranuronamidyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranuronamidyl-(1→3)-2-acetamido-2,6-dideoxy-β-D-glucopyranosyl-(1→4)-[2-deoxy-2-amino-α-D-galactopyranosyl-(1→2)]-[α-D-glucopyranosyl-(1→3)]-β-D-mannopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→2)]-α-D-mannopyranosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
4,6-dideoxy-4-formamido-β-D-glucosyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→3)-2-acetamido-2,6-dideoxy-β-D-glucosyl-(1→2)-4,6-dideoxy-4-formamido-β-D-glucosyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→3)-2-acetamido-2,6-dideoxy-β-D-glucosyl-(1→4)-[2-deoxy-2-amino-α-D-galactosyl-(1→2)]-[α-D-glucosyl-(1→3)]-β-D-mannosyl-(1→4)-[β-D-glucosyl-(1→2)]-α-D-mannosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulosonic acidChEBI
β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-D-QuipNAc-(1→2)-β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-D-QuipNAc-(1→4)-[α-D-GalpN-(1→2)]-[α-D-Glcp-(1→3)]-β-D-Manp-(1→4)-[β-D-Glcp-(1→2)]-α-D-Manp-(1→5)-α-KdoJCBN
Citations