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CHEBI:167580 - Urobiose

ChEBI IDCHEBI:167580
ChEBI NameUrobiose
Stars
Last Modified25 February 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O18
Net Charge0
Average Mass536.436
Monoisotopic Mass536.15886
SMILESOC[C@@H]1O[C@H](O[C@@]2(O)[C@H](CO)O[C@H](O[C@@]3(O)[C@H](CO)O[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O
WURCSWURCS=2.0/2,3,2/[a12C1h-1b_1-5][a1211h-1b_1-5]/1-1-2/a4u-b1_b4u-c1
InChIInChI=1S/C18H32O18/c19-1-4-7(22)8(23)9(24)15(32-4)35-18(31)6(3-21)34-16(11(26)13(18)28)36-17(30)5(2-20)33-14(29)10(25)12(17)27/h4-16,19-31H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15+,16+,17-,18-/m0/s1
InChIKeyLRQOQMWIEDQCHM-XCJASTIHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) skeletal muscle satellite cell (BTO:0005787) MetaboLights (MTBLS1779) Strain: C57BL/6 [EFO:0004472]
ChEBI Ontology
Outgoing Relation(s)
Urobiose (CHEBI:167580) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxane-2,3,4,5-tetrol
Synonym  Source
1,4-beta-D-GlucanChEBI
Manual XrefsDatabases
CELLULOSEMetaCyc
HMDB0006944HMDB
30776587ChemSpider
C00760KEGG COMPOUND