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CHEBI:72781 - 6-tuliposide A

Default Structure
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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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