CHEBI:202294 - (E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid

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ChEBI Name (E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
ChEBI ID CHEBI:202294
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H24O7
Net Charge 0
Average Mass 364.394
Monoisotopic Mass 364.15220
InChI InChI=1S/C19H24O7/c1-3-12(21)6-4-5-7-13-14(10-20)15(22)17-19(26-17,16(13)23)9-8-11(2)18(24)25/h5,7-8,15,17,20,22H,3-4,6,9-10H2,1-2H3,(H,24,25)/b7-5+,11-8+/t15-,17-,19+/m1/s1
InChIKey HXIWCEVPZJLOTE-GFEZWCFYSA-N
SMILES O=C1C(=C([C@@H](O)[C@@H]2[C@]1(O2)C/C=C(/C(=O)O)\C)CO)/C=C/CCC(=O)CC
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)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid (CHEBI:202294) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
(E)-4-[(1R,5R,6R)-5-hydroxy-4-(hydroxymethyl)-2-oxo-3-[(E)-5-oxohept-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
Manual Xref Database
24625388 ChemSpider
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