288753 <common-name>4-[5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl]butanoic acid</common-name> <description>4-[5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl]butanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. The compound has the formula C13H18O5 and an average molecular weight of 254.28 g/mol.</description> <cas nil="true"/> <pubchem-id>134812136</pubchem-id> <chemical-formula>C13H18O5</chemical-formula> <weight>254.28</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-28T01:54:15Z</created-at> <updated-at type="dateTime">2026-08-28T01:54:15Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1=C(OC(=C1C)CCC(=O)O)CCCC(=O)O</moldb-smiles> <moldb-formula>C13H18O5</moldb-formula> <moldb-inchi>InChI=1S/C13H18O5/c1-8-9(2)11(6-7-13(16)17)18-10(8)4-3-5-12(14)15/h3-7H2,1-2H3,(H,14,15)(H,16,17)</moldb-inchi> <moldb-inchikey>ZRPKUEWUJNRCRJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">254.1154237</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM284646</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>4-[5-(2-carboxyethyl)-3,4-dimethylfuran-2-yl]butanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acids and conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0240481</sync-id> <structure-inchikey>ZRPKUEWUJNRCRJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000000000000000000000000000000000000080000000000000000000000000000010004000000000000000000000000000000100000000000000000000000000000000020800000000000000000000000008000000000010000000000004000000000000000000000008000000000000000000000000040000200000002000000000000000000000400000000001000000000010000000000000000000000080000000000000000000000000000000000000000000008000000000800000000000000000000000000002000440000000000000000000000000000000000000000010400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>5000022001120600880040000108200000000400000520000034a0400200000c4002001000800000100441080080000004200084008c10010900643000a14000c4310400001004000090182001620300000004805001313240000422002009000c28240200400200200000004434000020028010a005e0049108002002100002004400084c40000808000200880c000811140012445014820004080000400085004100000010c00000000840016c211002c200008b430800180042000848020000000084840100120080000004010a8005000000020050200d000204080009000010281000010000000000000112200000100050804000080000000050000000</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGQCgAAAAD BAZAKAAAAAMECEAoAAAAAwIGQCgAAAADBAZAKAAAAAMEBgBgAAAAAQMGAGAA AAACAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAaAAAAAMBAQYAYAAAAAIC BgBgAAAAAgIGAGAAAAACAgYAKAAAAAMECAAoAAAAAwIIAGgAAAADAQELAAEA AQJoDAIDaAwDBGgMBAVoDAUGAAQHAAcIAAgJAAkKKAIJCyACDAAMDQANDgAO DwAPECgCDxEgBQFoDEIBAAAABQECAwQFFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:01:52Z</structure-indexed-at> </compound>