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CHEBI:142494 - laminarihexaose

Default Structure
ChEBI IDCHEBI:142494
ChEBI Namelaminarihexaose
Stars
DefinitionA β-D-glucan in which six D-glucose residues are connected by β(1→3) linkages.
Last Modified24 November 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H62O31
Net Charge0
Average Mass990.861
Monoisotopic Mass990.32751
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](CO)OC(O)[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=2.0/2,6,5/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2-2-2-2/a3-b1_b3-c1_c3-d1_d3-e1_e3-f1
InChIInChI=1S/C36H62O31/c37-1-7-13(43)19(49)20(50)32(58-7)64-27-15(45)9(3-39)60-34(22(27)52)66-29-17(47)11(5-41)62-36(24(29)54)67-30-18(48)12(6-42)61-35(25(30)55)65-28-16(46)10(4-40)59-33(23(28)53)63-26-14(44)8(2-38)57-31(56)21(26)51/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20-,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31?,32+,33+,34+,35+,36+/m1/s1
InChIKeyIJPVERCOVSUXRV-SWOKYYHISA-N
ChEBI Ontology
Outgoing Relation(s)
laminarihexaose (CHEBI:142494) is a glucohexaose (CHEBI:157698)
laminarihexaose (CHEBI:142494) is a β-D-glucan (CHEBI:28793)
IUPAC Names 
Glc(b1-3)Glc(b1-3)Glc(b1-3)Glc(b1-3)Glc(b1-3)Glc
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)-D-glucopyranose
Synonyms  Source
(3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triolIUPAC
Glcβ1-3Glcβ1-3Glcβ1-3Glcβ1-3Glcβ1-3GlcChEBI
β-D-Glc-(1→3)-β-D-Glc-(1→3)-β-D-Glc-(1→3)-β-D-Glc-(1→3)-β-D-Glc-(1→3)-D-GlcChEBI
β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-β-D-Glcp-(1→3)-D-GlcpIUPAC
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)-D-glucoseChEBI
β-D-gluco-hexopyranosyl-(1→3)-β-D-gluco-hexopyranosyl-(1→3)-β-D-gluco-hexopyranosyl-(1→3)-β-D-gluco-hexopyranosyl-(1→3)-β-D-gluco-hexopyranosyl-(1→3)-D-gluco-hexopyranoseIUPAC
Manual XrefsDatabases
G06493KEGG GLYCAN
G28165JKGlyTouCan
G28165JKGlyGen
Citations