EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133804 - (1→3)-dodeca-β-D-glucan

ChEBI IDCHEBI:133804
ChEBI Name(1→3)-dodeca-β-D-glucan
Stars
ASCII Name(1->3)-dodeca-beta-D-glucan
DefinitionA (1→3)-β-D-glucan consisting of 12 glucosyl residues linked in a linear sequence.
Last Modified20 October 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC72H122O61
Net Charge0
Average Mass1963.707
Monoisotopic Mass1962.64445
SMILESOC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[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[C@@H]7[C@@H](O)[C@H](O[C@@H]8[C@@H](O)[C@H](O[C@@H]9[C@@H](O)[C@H](O[C@@H]%10[C@@H](O)[C@H](O[C@@H]%11[C@@H](O)[C@H](O[C@@H]%12[C@@H](O)[C@H](O)O[C@H](CO)[C@H]%12O)O[C@H](CO)[C@H]%11O)O[C@H](CO)[C@H]%10O)O[C@H](CO)[C@H]9O)O[C@H](CO)[C@H]8O)O[C@H](CO)[C@H]7O)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)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,12,11/[a2122h-1b_1-5]/1-1-1-1-1-1-1-1-1-1-1-1/a3-b1_b3-c1_c3-d1_d3-e1_e3-f1_f3-g1_g3-h1_h3-i1_i3-j1_j3-k1_k3-l1
InChIInChI=1S/C72H122O61/c73-1-13-25(85)37(97)38(98)62(112-13)124-51-27(87)15(3-75)114-64(40(51)100)126-53-29(89)17(5-77)116-66(42(53)102)128-55-31(91)19(7-79)118-68(44(55)104)130-57-33(93)21(9-81)120-70(46(57)106)132-59-35(95)23(11-83)122-72(48(59)108)133-60-36(96)24(12-84)121-71(49(60)109)131-58-34(94)22(10-82)119-69(47(58)107)129-56-32(92)20(8-80)117-67(45(56)105)127-54-30(90)18(6-78)115-65(43(54)103)125-52-28(88)16(4-76)113-63(41(52)101)123-50-26(86)14(2-74)111-61(110)39(50)99/h13-110H,1-12H2/t13-,14-,15-,16-,17-,18-,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+/m1/s1
InChIKeyUMAIBQXXWUFVTN-NEYMMMOXSA-N
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
(1→3)-dodeca-β-D-glucan (CHEBI:133804) is a (1→3)-β-D-glucan (CHEBI:37671)
(1→3)-dodeca-β-D-glucan (CHEBI:133804) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
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
dodeca-β-(1→3)-D-glucanChEBI
dodeca-β(1→3)-D-glucanChEBI
dodeca-β-glucanChEBI
β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucosyl-(1→3)-β-D-glucoseChEBI
(1→3)-dodeca-β-D-glucopyrananChEBI
dodeca-β(1→3)-D-glucopyrananChEBI
Citations