EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:157172 - (3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol

Default Structure
ChEBI IDCHEBI:157172
ChEBI Name(3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC48H82O41
Net Charge0
Average Mass1315.143
Monoisotopic Mass1314.43315
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](CO)OC(O)[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=2.0/2,8,7/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2-2-2-2-2-2/a3-b1_b3-c1_c3-d1_d3-e1_e3-f1_f3-g1_g3-h1
InChIInChI=1S/C48H82O41/c49-1-9-17(57)25(65)26(66)42(76-9)84-35-19(59)11(3-51)78-44(28(35)68)86-37-21(61)13(5-53)80-46(30(37)70)88-39-23(63)15(7-55)82-48(32(39)72)89-40-24(64)16(8-56)81-47(33(40)73)87-38-22(62)14(6-54)79-45(31(38)71)85-36-20(60)12(4-52)77-43(29(36)69)83-34-18(58)10(2-50)75-41(74)27(34)67/h9-74H,1-8H2/t9-,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+,37+,38+,39+,40+,41?,42-,43-,44-,45-,46-,47-,48-/m1/s1
InChIKeySFWKRGHQKUWGTQ-COIHOVEPSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,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-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol (CHEBI:157172) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->3)-alpha-D-gluco-hexopyranosyl-(1->3)-D-gluco-hexopyranoseSUBMITTER
Glc(a1-3)Glc(a1-3)Glc(a1-3)Glc(a1-3)Glc(a1-3)Glc(a1-3)Glc(a1-3)GlcSUBMITTER
Manual XrefsDatabases
G09921EAGlyTouCan
G09921EAGlyGen