CHEBI:186135 - 3-carboxy-4-methyl-5-propylene-2-furanpropanoic 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 3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid
ChEBI ID CHEBI:186135
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H14O5
Net Charge 0
Average Mass 238.239
Monoisotopic Mass 238.08412
InChI InChI=1S/C12H14O5/c1-3-4-8-7(2)11(12(15)16)9(17-8)5-6-10(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)(H,15,16)/b4-3+
InChIKey GTXDMFICGCDJOC-ONEGZZNKSA-N
SMILES O1C(CCC(O)=O)=C(C(=C1/C=C/C)C)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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 3-carboxy-4-methyl-5-propylene-2-furanpropanoic acid (CHEBI:186135) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
2-(2-carboxyethyl)-4-methyl-5-[(E)-prop-1-enyl]uran-3-carboxylic acid
Manual Xrefs Databases
113368405 ChemSpider
LMFA01150065 LIPID MAPS
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