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CHEBI:171695 - 6''-O-alpha-D-Galactopyranosylciceritol

ChEBI IDCHEBI:171695
ChEBI Name6''-O-alpha-D-Galactopyranosylciceritol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H44O21
Net Charge0
Average Mass680.606
Monoisotopic Mass680.23751
SMILESCO[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2112h-1a_1-5_1*OC^SC^SC^RC^SC^RC^S$3/8O/7O/6O/5OC/4O][a2112h-1a_1-5]/1-2-2/a6-b1_b6-c1
InChIInChI=1S/C25H44O21/c1-40-21-15(34)14(33)16(35)22(20(21)39)46-25-19(38)13(32)10(29)7(45-25)4-42-24-18(37)12(31)9(28)6(44-24)3-41-23-17(36)11(30)8(27)5(2-26)43-23/h5-39H,2-4H2,1H3/t5-,6-,7-,8+,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1
InChIKeyUMROTOJYTIKHPJ-NKPCKLMGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
6''-O-alpha-D-Galactopyranosylciceritol (CHEBI:171695) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(1S,2R,3S,4R,5S,6S)-4-methoxy-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxycyclohexane-1,2,3,5-tetrol
Manual XrefsDatabases
30777159ChemSpider
HMDB0036241HMDB