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CHEBI:60289 - α-Δ4,5HexpUA2S-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-D-GalpNAc6S

ChEBI IDCHEBI:60289
ChEBI Nameα-Δ4,5HexpUA2S-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-D-GalpNAc6S
Stars
ASCII Namealpha-Delta(4,5)HexpUA2S-(1->3)-beta-D-GalpNAc6S-(1->4)-beta-D-GlcpUA-(1->3)-beta-D-GalpNAc6S-(1->4)-beta-D-GlcpUA-(1->3)-beta-D-GalpNAc6S-(1->4)-beta-D-GlcpUA-(1->3)-D-GalpNAc6S
DefinitionAn oligosaccharide derivative that is a derivative of an octasaccharide consisting of GlcUAβ1-3GalNAc(6-O-sulfate) disaccharide units with a Δ4,5HexUA(2-O-sulfate)α1-3GalNAc(6-O-sulfate) disaccharide unit at the non-reducing end. It has been isolated from a partial chondroitinase ABC digest of a commercial shark cartilage chondroitin sulfate (CS-C) preparation.
Last Modified12 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC56H84N4O60S5
Net Charge0
Average Mass1933.591
Monoisotopic Mass1932.22483
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O[C@H]8OC(C(=O)O)=C(O)C(O)C8OS(=O)(=O)O)[C@H]7NC(C)=O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@H]1O
InChIInChI=1S/C56H84N4O60S5/c1-9(61)57-17-33(21(65)13(105-49(17)85)5-101-121(86,87)88)109-53-30(74)27(71)37(42(117-53)46(79)80)113-50-18(58-10(2)62)34(22(66)14(106-50)6-102-122(89,90)91)110-54-31(75)28(72)38(43(118-54)47(81)82)114-51-19(59-11(3)63)35(23(67)15(107-51)7-103-123(92,93)94)111-55-32(76)29(73)39(44(119-55)48(83)84)115-52-20(60-12(4)64)36(24(68)16(108-52)8-104-124(95,96)97)112-56-41(120-125(98,99)100)26(70)25(69)40(116-56)45(77)78/h13-24,26-39,41-44,49-56,65-76,85H,5-8H2,1-4H3,(H,57,61)(H,58,62)(H,59,63)(H,60,64)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)(H,98,99,100)/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,26?,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,41?,42+,43+,44+,49-,50+,51+,52+,53-,54-,55-,56+/m1/s1
InChIKeyOCTUWRPSBUAFSQ-ICQQYOHSSA-N
Roles Classification
Biological Role:
mimotope  Any macromolecule whose structure mimics that of an epitope. When applied to immunisation, a mimotope induces the desired antibody specificities exclusively based on the principle of molecular mimicry.
ChEBI Ontology
Outgoing Relation(s)
α-Δ4,5HexpUA2S-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-D-GalpNAc6S (CHEBI:60289) has role mimotope (CHEBI:60218)
α-Δ4,5HexpUA2S-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-D-GalpNAc6S (CHEBI:60289) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
(1S)-2-O-sulfohex-4-enopyranuronosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-D-galactopyranose
Synonyms  Source
ΔD-C-C-CChEBI
ΔHexUA(2S)α1-3GalNAc(6S)β1-4GlcUAβ1-3GalNAc(6S)β1-4GlcUAβ1-3GalNAc(6S)β1-4GlcUAβ1-3GalNAc(6S)ChEBI
Citations