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CHEBI:231246 - Etamucine

ChEBI IDCHEBI:231246
ChEBI NameEtamucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54N2O23
Net Charge0
Average Mass846.786
Monoisotopic Mass846.31174
SMILESCC(=O)NC1C(O)OC(CO)C(O)C1COC1OC(C(=O)O)C(COCC2OC(CO)C(O)C(COC3OC(C(=O)O)C(O)C(O)C3O)C2NC(C)=O)C(O)C1(C)O
InChIInChI=1S/C33H54N2O23/c1-10(38)34-18-12(7-53-31-24(44)22(42)23(43)26(57-31)29(48)49)20(40)15(4-36)55-17(18)9-52-6-14-25(28(46)47)58-32(33(3,51)27(14)45)54-8-13-19(35-11(2)39)30(50)56-16(5-37)21(13)41/h12-27,30-32,36-37,40-45,50-51H,4-9H2,1-3H3,(H,34,38)(H,35,39)(H,46,47)(H,48,49)
InChIKeyBVOZFCOTOYGLGD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Etamucine (CHEBI:231246) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3-[[3-acetamido-4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxymethyl]-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-6-[[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxy]-4,5-dihydroxy-5-methyloxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0251987HMDB
3507ChemSpider