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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
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
ChEBI ID CHEBI:210774
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O6
Net Charge 0
Average Mass 352.427
Monoisotopic Mass 352.18859
InChI InChI=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
InChIKey MNHSQSKPLNKVHR-KVIFHKNKSA-N
SMILES O=C1C(=C([C@@H](O)[C@@H]2[C@]1(O2)C/C=C(/C(=O)O)\C)CO)CCCCCCC
Metabolite of Species Details
Multiclavulaspecies (NCBI:txid2506259) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Xref Database
24629497 ChemSpider
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