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CHEBI:182881 - (Z)-2,6-dimethyl-7-(4-methyl-5-oxooxolan-2-yl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hept-5-enoic acid

ChEBI IDCHEBI:182881
ChEBI Name(Z)-2,6-dimethyl-7-(4-methyl-5-oxooxolan-2-yl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hept-5-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O10
Net Charge0
Average Mass446.493
Monoisotopic Mass446.21520
SMILESC/C(=C/CC(COC1OC(CO)C(O)C(O)C1O)C(C)C(=O)O)CC1CC(C)C(=O)O1
InChIInChI=1S/C21H34O10/c1-10(6-14-7-11(2)20(28)30-14)4-5-13(12(3)19(26)27)9-29-21-18(25)17(24)16(23)15(8-22)31-21/h4,11-18,21-25H,5-9H2,1-3H3,(H,26,27)/b10-4-
InChIKeyQOIHIEPXTNMSSM-WMZJFQQLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
(Z)-2,6-dimethyl-7-(4-methyl-5-oxooxolan-2-yl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hept-5-enoic acid (CHEBI:182881) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
(Z)-2,6-dimethyl-7-(4-methyl-5-oxooxolan-2-yl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hept-5-enoic acid
Manual XrefsDatabases
22913519ChemSpider