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CHEBI:229909 - (1s,3r,5r,6s,8r,10r,11s,15r,16s,20r,21r,22r,23r,24r,25r,26r,27r,28r)-5,10,15,20-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19-octaoxapentacyclo[16.2.2.2~3,6~.2~8,11~.2~13,16~]octacosane-21,22,23,24,25,26,27,28-octol

ChEBI IDCHEBI:229909
ChEBI Name(1s,3r,5r,6s,8r,10r,11s,15r,16s,20r,21r,22r,23r,24r,25r,26r,27r,28r)-5,10,15,20-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19-octaoxapentacyclo[16.2.2.2~3,6~.2~8,11~.2~13,16~]octacosane-21,22,23,24,25,26,27,28-octol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O20
Net Charge0
Average Mass648.564
Monoisotopic Mass648.21129
SMILESOC[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O[C@H]5[C@H](O)[C@@H](O)C(O[C@H]1[C@H](O)[C@H]2O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO
WURCSWURCS=2.0/2,4,4/[a2122h-1x_1-5][a2122h-1a_1-5]/1-1-2-2/a1-d4_a4-b1_b4-c1_c4-d1
InChIInChI=1S/C24H40O20/c25-1-5-17-9(29)13(33)21(37-5)42-18-6(2-26)39-23(15(35)11(18)31)44-20-8(4-28)40-24(16(36)12(20)32)43-19-7(3-27)38-22(41-17)14(34)10(19)30/h5-36H,1-4H2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23?,24?/m1/s1
InChIKeyCKMNPXWFAZLBNK-OGPYAYRASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(1s,3r,5r,6s,8r,10r,11s,15r,16s,20r,21r,22r,23r,24r,25r,26r,27r,28r)-5,10,15,20-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19-octaoxapentacyclo[16.2.2.2~3,6~.2~8,11~.2~13,16~]octacosane-21,22,23,24,25,26,27,28-octol (CHEBI:229909) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(1S,5R,6S,8R,10R,11S,13R,15R,16S,20R,21R,22R,23R,24R,25R,26R,27R,28R)-5,10,15,20-tetrakis(hydroxymethyl)-2,4,7,9,12,14,17,19-octaoxapentacyclo[16.2.2.23,6.28,11.213,16]octacosane-21,22,23,24,25,26,27,28-octol
Manual XrefsDatabases
388477ChemSpider
C00973KEGG COMPOUND