EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:147745 - (2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ChEBI IDCHEBI:147745
ChEBI Name(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H62O31
Net Charge0
Average Mass990.861
Monoisotopic Mass990.32751
SMILESOC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@@H]4[C@H](O)[C@@H](O)O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,6,5/[a1122h-1a_1-5]/1-1-1-1-1-1/a3-b1_a6-f1_b6-c1_c3-d1_c6-e1
InChIInChI=1S/C36H62O31/c37-1-7-13(40)19(46)23(50)32(61-7)57-5-11-17(44)29(27(54)31(56)60-11)66-36-26(53)22(49)16(43)10(65-36)4-59-34-28(55)30(67-35-25(52)21(48)15(42)9(3-39)63-35)18(45)12(64-34)6-58-33-24(51)20(47)14(41)8(2-38)62-33/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
InChIKeyFJZULEBCNQWOLK-HBNBQYQDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-4-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5R,6R)-3,5-Dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,6-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CHEBI:147745) is a oligosaccharide (CHEBI:50699)
Synonyms  Source
alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranoseSUBMITTER
Man(a1-3)[Man(a1-6)]Man(a1-6)Man(a1-3)[Man(a1-6)]a-ManSUBMITTER
Manual XrefsDatabases
G12028KDGlyTouCan
G12028KDGlyGen