CHEBI:145630 - CID 91859537

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name CID 91859537
ChEBI ID CHEBI:145630
Definition A polysaccharide consisting of α-D-Glcp-(1→2)-α-D-Glcp-(1→3)-α-D-Glcp-(1→3)-α-D-Manp-(1→2)-β-D-Manp-(1→2)-α-D-Manp-(1→3)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc in which the β-D-Manp- residue attached to the β-D-Glcp residue is glycosylated at position 6 by an α-D-mannopyranosyl group, which in turn is substituted at positions 3 and 6 by 2-O-α-D-mannopyranosyl-α-D-mannopyranosyl groups.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C88H148N2O71
Net Charge 0
Average Mass 2370.095
Monoisotopic Mass 2368.80319
InChI InChI=1S/C88H148N2O71/c1-17(103)89-33-47(117)64(29(13-101)137-75(33)134)151-76-34(90-18(2)104)48(118)65(30(14-102)148-76)152-83-63(133)69(46(116)32(150-83)15-135-77-60(130)68(155-86-72(54(124)40(110)24(8-96)145-86)159-80-59(129)51(121)37(107)21(5-93)140-80)45(115)31(149-77)16-136-84-70(52(122)38(108)22(6-94)143-84)157-78-57(127)49(119)35(105)19(3-91)138-78)156-87-74(56(126)42(112)25(9-97)146-87)161-88-73(55(125)41(111)26(10-98)147-88)160-82-61(131)66(43(113)27(11-99)142-82)153-81-62(132)67(44(114)28(12-100)141-81)154-85-71(53(123)39(109)23(7-95)144-85)158-79-58(128)50(120)36(106)20(4-92)139-79/h19-88,91-102,105-134H,3-16H2,1-2H3,(H,89,103)(H,90,104)/t19-,20-,21-,22-,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+,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-,82-,83+,84+,85-,86-,87-,88+/m1/s1
InChIKey KUYCTNQKTFGPMI-NYZJTLATSA-N
SMILES O([C@@H]1[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]3CO)O)O[C@@H]([C@H]1O)CO[C@H]4O[C@@H]([C@@H](O)[C@H](O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O)CO)CO)[C@@H]4O)CO[C@H]7O[C@@H]([C@@H](O)[C@H](O)[C@@H]7O[C@H]8O[C@@H]([C@@H](O)[C@H](O)[C@@H]8O)CO)CO)[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@H]%11O[C@@H]([C@@H](O)[C@H](O[C@H]%12O[C@@H]([C@@H](O)[C@H](O[C@H]%13O[C@@H]([C@@H](O)[C@H](O)[C@H]%13O[C@H]%14O[C@@H]([C@@H](O)[C@H](O)[C@H]%14O)CO)CO)[C@H]%12O)CO)[C@@H]%11O)CO)CO)CO
ChEBI Ontology
Outgoing CID 91859537 (CHEBI:145630) is a polysaccharide (CHEBI:18154)
IUPAC Name
α-D-glucopyranosyl-(1→2)-α-D-glucopyranosyl-(1→3)-α-D-glucopyranosyl-(1→3)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose
Synonyms Sources
Glc(a1-2)Glc(a1-3)Glc(a1-3)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc IUPAC
WURCS=2.0/5,14,13/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1a_1-5]/1-2-3-4-4-4-5-5-5-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_e2-f1_f3-g1_g3-h1_h2-i1_j3-k1_j6-m1_k2-l1_m2-n1 SUBMITTER
Manual Xrefs Databases
G00008 KEGG GLYCAN
G72079JG GlyTouCan
G72079JG GlyGen
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Last Modified
16 January 2020