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CHEBI:62319 - β-Glcp-(1→6)-{β-Glcp-(1→6)-{[β-Glcp-(1→3)]5}-[β-Glcp-(1→3)]5}-[β-Glcp-(1→3)]4-β-Glcp

ChEBI IDCHEBI:62319
ChEBI Nameβ-Glcp-(1→6)-{β-Glcp-(1→6)-{[β-Glcp-(1→3)]5}-[β-Glcp-(1→3)]5}-[β-Glcp-(1→3)]4-β-Glcp
Stars
ASCII Namebeta-Glcp-(1->6)-{beta-Glcp-(1->6)-{[beta-Glcp-(1->3)]5}-[beta-Glcp-(1->3)]5}-[beta-Glcp-(1->3)]4-beta-Glcp
DefinitionA β-D-glucan consisting of [3)-β-D-Glcp-(1→]15 in which the fifth and tenth glucosides from the reducing end are substituted at position 6 by β-D-glucoside residues.
Last Modified14 June 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC102H172O86
Net Charge0
Average Mass2774.412
Monoisotopic Mass2772.90856
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@@H](O)[C@H](O[C@@H]5[C@@H](O)[C@H](O[C@@H]6[C@@H](O)[C@H](O)O[C@H](CO)[C@H]6O)O[C@H](CO)[C@H]5O)O[C@H](CO)[C@H]4O)O[C@H](CO)[C@H]3O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%12O)[C@H]%11O)[C@H]%10O)[C@H]9O)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,17,16/[a2122h-1b_1-5]/1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1-1/a3-b1_b3-c1_c3-d1_d3-e1_e3-f1_e6-q1_f3-g1_g3-h1_h3-i1_i3-j1_j3-k1_j6-p1_k3-l1_l3-m1_m3-n1_n3-o1
InChIInChI=1S/C102H172O86/c103-1-18-35(118)52(135)55(138)87(159-18)156-16-33-50(133)84(70(153)101(173-33)185-82-48(131)31(14-116)169-97(68(82)151)181-78-44(127)25(8-110)164-92(62(78)145)177-74-40(123)23(6-108)162-90(60(74)143)175-72-38(121)21(4-106)158-86(155)58(72)141)187-100-67(150)81(47(130)30(13-115)172-100)184-96-64(147)77(43(126)27(10-112)168-96)180-94-65(148)79(45(128)28(11-113)166-94)182-98-69(152)83(49(132)32(15-117)170-98)186-102-71(154)85(51(134)34(174-102)17-157-88-56(139)53(136)36(119)19(2-104)160-88)188-99-66(149)80(46(129)29(12-114)171-99)183-95-63(146)76(42(125)26(9-111)167-95)179-93-61(144)75(41(124)24(7-109)165-93)178-91-59(142)73(39(122)22(5-107)163-91)176-89-57(140)54(137)37(120)20(3-105)161-89/h18-155H,1-17H2/t18-,19-,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-,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+/m1/s1
InChIKeyBUDUGALSJOXBHC-GJDRQSPBSA-N
ChEBI Ontology
Outgoing Relation(s)
β-Glcp-(1→6)-{β-Glcp-(1→6)-{[β-Glcp-(1→3)]5}-[β-Glcp-(1→3)]5}-[β-Glcp-(1→3)]4-β-Glcp (CHEBI:62319) is a β-D-glucan (CHEBI:28793)
IUPAC Name 
β-D-glucopyranosyl-(1→6)-[β-D-glucopyranosyl-(1→6)-[β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→3)-β-D-glucopyranose
Synonyms  Source
β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-[β-Glc-(1→6)]-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-[β-Glc-(1→6)]-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-β-Glc-(1→3)-β-GlcChEBI
β-Glc-(1→6)-{β-Glc-(1→6)-{[β-Glc-(1→3)]5}-[β-Glc-(1→3)]5}-[β-Glc-(1→3)]4-β-GlcChEBI
Citations