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CHEBI:72781 - 6-tuliposide A

ChEBI IDCHEBI:72781
ChEBI Name6-tuliposide A
Stars
DefinitionA 6-O-acyl-D-glucose that is the 6-O-(4-hydroxy-2-methylenebutanoyl) derivative of D-glucopyranose.
Last Modified1 March 2017
SubmitterKAX
DownloadsMolfile
FormulaC11H18O8
Net Charge0
Average Mass278.257
Monoisotopic Mass278.10017
SMILESC=C(CCO)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H18O8/c1-5(2-3-12)10(16)18-4-6-7(13)8(14)9(15)11(17)19-6/h6-9,11-15,17H,1-4H2/t6-,7-,8+,9-,11?/m1/s1
InChIKeyNABVFHUVYXEKSQ-OGADHKOYSA-N
Roles Classification
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
6-tuliposide A (CHEBI:72781) has functional parent D-glucopyranose (CHEBI:4167)
6-tuliposide A (CHEBI:72781) has role allergen (CHEBI:50904)
6-tuliposide A (CHEBI:72781) has role metabolite (CHEBI:25212)
6-tuliposide A (CHEBI:72781) is a 6-O-acyl-D-glucose (CHEBI:59475)
6-tuliposide A (CHEBI:72781) is a homoallylic alcohol (CHEBI:134362)
IUPAC Name 
6-O-(4-hydroxy-2-methylenebutanoyl)-D-glucopyranose
UniProt Name  Source
6-tuliposide AUniProt
Manual XrefsDatabases
CPD-15227MetaCyc
Registry NumbersSources
Reaxys:5753001Reaxys
Citations