EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207668 - Glucosylsucrose derivative 3

ChEBI IDCHEBI:207668
ChEBI NameGlucosylsucrose derivative 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H52O26
Net Charge0
Average Mass828.720
Monoisotopic Mass828.27468
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@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)C(O)C1O
WURCSWURCS=2.0/4,5,4/[axxxxh-1x_1-5][ha21xh-2u_2-5][a1x2xh-1d_1-5][axx2xh-1d_1-5]/1-2-3-4-3/a1-b2_a2-c1_c2-d1_d2-e1
InChIInChI=1S/C30H52O26/c31-1-7-12(37)17(42)21(46)26(48-7)52-22-18(43)13(38)8(2-32)49-27(22)53-23-19(44)14(39)9(3-33)50-28(23)54-24-20(45)15(40)10(4-34)51-29(24)56-30(6-36)25(47)16(41)11(5-35)55-30/h7-29,31-47H,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+/m1/s1
InChIKeyJFSPEAOTYUCNFS-RZNBSGJJSA-N
Species of MetaboliteComponentSourceComments
Nostoc ellipsosporum (ncbitaxon:45916) - PubMed (16367754)
ChEBI Ontology
Outgoing Relation(s)
Glucosylsucrose derivative 3 (CHEBI:207668) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2R,3S,5S)-2-[(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-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
78445243ChemSpider