EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:227594 - Glucosylsucrose derivative 2

ChEBI IDCHEBI:227594
ChEBI NameGlucosylsucrose derivative 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O21
Net Charge0
Average Mass666.579
Monoisotopic Mass666.22186
SMILESOCC1OC(O[C@]2(CO)OC(CO)[C@H](O)[C@H]2O)C(O[C@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O[C@H]2OC(CO)[C@@H](O)C(O)C2O)C(O)C1O
WURCSWURCS=2.0/4,4,3/[axxxxh-1x_1-5][ha21xh-2u_2-5][a1x2xh-1d_1-5][axx2xh-1d_1-5]/1-2-3-4/a1-b2_a2-c1_c2-d1
InChIInChI=1S/C24H42O21/c25-1-6-10(30)14(34)17(37)21(39-6)42-18-15(35)11(31)7(2-26)40-22(18)43-19-16(36)12(32)8(3-27)41-23(19)45-24(5-29)20(38)13(33)9(4-28)44-24/h6-23,25-38H,1-5H2/t6?,7?,8?,9?,10-,11-,12?,13+,14?,15?,16?,17?,18+,19?,20-,21-,22-,23?,24+/m1/s1
InChIKeyRHXCTYFNNJCGHX-UUICYSAOSA-N
Species of MetaboliteComponentSourceComments
Nostoc ellipsosporum (ncbitaxon:45916) - PubMed (16367754)
ChEBI Ontology
Outgoing Relation(s)
Glucosylsucrose derivative 2 (CHEBI:227594) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2R,5S)-2-[(2R,3S,5S)-2-[2-[(2S,3R,4R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78445328ChemSpider