89437 <common-name>Sodium N-methyl-N-(1-oxotetradecyl)-ß-alaninate</common-name> <description>Sodium N-methyl-N-(1-oxotetradecyl)-ß-alaninate belongs to the fatty amides, a subclass of fatty acyls within the organic compounds. It has the formula C18H35NO3 and an average molecular weight of 335.46 g/mol. This substance is classified as a lipid and lipid-like molecule.</description> <cas>21539-71-9</cas> <pubchem-id>18427123</pubchem-id> <chemical-formula>C18H35NO3</chemical-formula> <weight>313.5</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">2026-04-04T23:45:14Z</created-at> <updated-at type="dateTime">2026-08-20T01:37:38Z</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>[Na+].CCCCCCCCCCCCCC(=O)N(C)CCC([O-])=O</moldb-smiles> <moldb-formula>C18H35NO3</moldb-formula> <moldb-inchi>InChI=1/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1/p-1</moldb-inchi> <moldb-inchikey>ISONEALTCIBOKV-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">335.464</moldb-average-mass> <moldb-mono-mass type="decimal">313.261694</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM085330</chemdb-id> <dsstox-id>DTXSID70944149</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00050318</susdat-id> <iupac>3-[methyl(tetradecanoyl)amino]propanoic 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 amides</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0115391</sync-id> <structure-inchikey>ISONEALTCIBOKV-UHFFFAOYSA-M</structure-inchikey> <structure-fingerprint>810000000000000000000000000000000000000000000000000002000000000200000000000000000000000000000000000000000000000000000000000000010000001000000020000000000000001000010000000000004020010000000000000000004000000000000000000000000000000000000000004040000000000000000000010000100000000000040020060000001000000000000000000000000000000000000000000008000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000000000000000000000010400000001000000000080000000000000</structure-fingerprint> <structure-pattern-fingerprint>40000020010206000800010001002000000000000005200000300040020000044002004000800000000041000080000004200085808c10010200643000a00000c6110000000000000080102000620100000400004000003240000422000009000c20000000400200000000005430000020008050010460043118020002100002004400180460820808020200880c000811140002444014020004080000400000006300000010c00000000940056c25100ac0000008010800000000000040020000100084040000000080000400010200000000000200400009000000080000000000080000000000000000004000200000100010804000000000008050000006</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAFQAAAIABCyAKAAAAAQEGAGAAAAAB AwYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG AGAAAAACAgYAKAAAAAMECAAoAAAAAwIHACgAAAADAwYAYAAAAAEDBgBgAAAA AgIGAGAAAAACAgYAKAAAAAMECCAqAAAA/wMBCAAoAAAAAwILAQIAAgMAAwQA BAUABQYABgcABwgACAkACQoACgsACwwADA0ADQ4ADg8oAg4QIBARABASABIT ABMUABQVIBQWKAJCAAAAABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:32:40Z</structure-indexed-at> </compound>