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CHEBI:210774 - (E)-4-[(1R,5R,6R)-3-heptyl-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid

ChEBI IDCHEBI:210774
ChEBI Name(E)-4-[(1R,5R,6R)-3-heptyl-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28O6
Net Charge0
Average Mass352.427
Monoisotopic Mass352.18859
SMILESCCCCCCCC1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C/C=C(\C)C(=O)O)C1=O
InChIInChI=1S/C19H28O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h9,15,17,20-21H,3-8,10-11H2,1-2H3,(H,23,24)/b12-9+/t15-,17-,19+/m1/s1
InChIKeyMNHSQSKPLNKVHR-KVIFHKNKSA-N
Species of MetaboliteComponentSourceComments
Multiclavulaspecies (ncbitaxon:2506259) - PubMed (19117486)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-4-[(1R,5R,6R)-3-heptyl-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid (CHEBI:210774) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name 
(E)-4-[(1R,5R,6R)-3-heptyl-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Manual XrefsDatabases
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