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CHEBI:77451 - β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-DQuipNAc-(1→2)-β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-DQuipNAc

ChEBI IDCHEBI:77451
ChEBI Nameβ-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-DQuipNAc-(1→2)-β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-DQuipNAc
Stars
ASCII Namebeta-D-QuipN4Fm-(1->4)-alpha-D-GalpNAcAN-(1->4)-alpha-D-GalpNAcAN-(1->3)-beta-DQuipNAc-(1->2)-beta-D-QuipN4Fm-(1->4)-alpha-D-GalpNAcAN-(1->4)-alpha-D-GalpNAcAN-(1->3)-beta-DQuipNAc
DefinitionAn amino octasaccharide comprising two units, linked (1→2), of an amino tetrasaccharide, each unit consisting of 4-deoxy-4-formamido-β-D-quinovose residue, two 2-acetamido-2-deoxy-α-D-galacturonamide residues and an N-acetyl-β-D-quinovosamine residue linked in a (1→4), (1→4), (1→3) sequence.
Last Modified24 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC62H98N12O37
Net Charge0
Average Mass1603.513
Monoisotopic Mass1602.61558
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]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/C62H98N12O37/c1-13-23(67-11-75)33(85)39(91)61(98-13)105-44-37(89)27(71-19(7)79)58(110-49(44)53(65)94)103-43-36(88)26(70-18(6)78)57(109-48(43)52(64)93)102-41-30(74-22(10)82)60(100-16(4)32(41)84)107-46-34(86)24(68-12-76)14(2)99-62(46)106-45-38(90)28(72-20(8)80)59(111-50(45)54(66)95)104-42-35(87)25(69-17(5)77)56(108-47(42)51(63)92)101-40-29(73-21(9)81)55(96)97-15(3)31(40)83/h11-16,23-50,55-62,83-91,96H,1-10H3,(H2,63,92)(H2,64,93)(H2,65,94)(H2,66,95)(H,67,75)(H,68,76)(H,69,77)(H,70,78)(H,71,79)(H,72,80)(H,73,81)(H,74,82)/t13-,14-,15-,16-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+,55-,56+,57+,58+,59+,60+,61+,62+/m1/s1
InChIKeyHKMUUSDNGSZIQO-RFYREIIHSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-DQuipNAc-(1→2)-β-D-QuipN4Fm-(1→4)-α-D-GalpNAcAN-(1→4)-α-D-GalpNAcAN-(1→3)-β-DQuipNAc (CHEBI:77451) is a amino octasaccharide (CHEBI:71060)
IUPAC Names 
4,6-dideoxy-4-formamido-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(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-galactopyranosyluronamide-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(1→3)-2-acetamido-2,6-dideoxy-β-D-glucopyranose
4-deoxy-4-formamido-β-D-quinovopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(1→3)-2-acetamido-2-deoxy-β-D-quinovopyranosyl-(1→2)-4-deoxy-4-formamido-β-D-quinovopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyluronamide-(1→3)-2-acetamido-2-deoxy-β-D-quinovopyranose
Synonyms  Source
β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-DQuiNAc-(1→2)-β-D-QuiN4Fm-(1→4)-α-D-GalNAcAN-(1→4)-α-D-GalNAcAN-(1→3)-β-DQuiNAcChEBI
4-deoxy-4-formamido-β-D-quinovosyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→3)-N-acetyl-β-D-quinovosaminyl-(1→2)-4-deoxy-4-formamido-β-D-quinovosyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→4)-2-acetamido-2-deoxy-α-D-galacturonamidyl-(1→3)-N-acetyl-β-D-quinovosamineChEBI
Citations