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CHEBI:60290 - α-Δ4,5HexpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpUA2S-(1→3)-D-GalpNAc6S

ChEBI IDCHEBI:60290
ChEBI Nameα-Δ4,5HexpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpUA2S-(1→3)-D-GalpNAc6S
Stars
ASCII Namealpha-Delta(4,5)HexpUA-(1->3)-beta-D-GalpNAc6S-(1->4)-beta-D-GlcpUA-(1->3)-beta-D-GalpNAc6S-(1->4)-beta-D-GlcpUA-(1->3)-beta-D-GalpNAc4S-(1->4)-beta-D-GlcpUA2S-(1->3)-D-GalpNAc6S
DefinitionAn oligosaccharide derivative that is an octasaccharide derivative consisting of an irregular string of NHAcetyl-substituted and O-sulfated monosaccharide residues with a Δ4,5HexUAα1-3GalNAc(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 Modified16 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC54H81N3O60S5
Net Charge0
Average Mass1892.538
Monoisotopic Mass1891.19828
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](CO)[C@H](OS(=O)(=O)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)C8O)[C@H]7NC(C)=O)[C@H](O)[C@H]6O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2OS(=O)(=O)O)[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@@H]1O
InChIInChI=1S/C54H81N3O60S5/c1-8(59)55-15-31(18(62)12(101-47(15)82)5-98-118(83,84)85)107-54-39(117-122(95,96)97)28(72)36(42(115-54)46(80)81)110-53-29(73)37(30(11(4-58)102-53)116-121(92,93)94)111-52-27(71)24(68)35(41(114-52)45(78)79)109-49-17(57-10(3)61)33(20(64)14(104-49)7-100-120(89,90)91)106-51-26(70)23(67)34(40(113-51)44(76)77)108-48-16(56-9(2)60)32(19(63)13(103-48)6-99-119(86,87)88)105-50-25(69)21(65)22(66)38(112-50)43(74)75/h11-21,23-37,39-42,47-54,58,62-73,82H,4-7H2,1-3H3,(H,55,59)(H,56,60)(H,57,61)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H,95,96,97)/t11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21?,23-,24-,25?,26-,27-,28+,29-,30+,31-,32-,33-,34+,35+,36+,37-,39-,40+,41+,42+,47+,48+,49+,50+,51-,52-,53-,54+/m1/s1
InChIKeyOCOWABIZUVQANM-SWDHKQPOSA-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-Δ4,5HexpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpUA2S-(1→3)-D-GalpNAc6S (CHEBI:60290) has role mimotope (CHEBI:60218)
α-Δ4,5HexpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc6S-(1→4)-β-D-GlcpUA-(1→3)-β-D-GalpNAc4S-(1→4)-β-D-GlcpUA2S-(1→3)-D-GalpNAc6S (CHEBI:60290) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
(1S)-hex-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)-4-O-sulfo-β-D-galactopyranosyl-(1→4)-2-O-sulfo-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-D-galactopyranose
Synonyms  Source
ΔHexUAα1-3GalNAc(6S)β1-4GlcUAβ1-3GalNAc(6S)β1-4GlcUAβ1-3GalNAc(4S)β1-4GlcUA(2S)β1-3GalNAc(6S)ChEBI
ΔC-C-A-DChEBI
Citations