Grundinformationen
- Standard-SMILES
CCCCCCCCCCCC(=O)[O-]- InChIKey
POULHZVOKOAJMA-UHFFFAOYSA-M- Summenformel
- C12H23O2-
- Durchschnittliche Molmasse
- 199,31 g/mol
- Monoisotopische Masse
- 199,17035356
Überblick
Dodecanoate is a medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite and a plant metabolite. It is an omega-methyl-medium-chain fatty acid anion, a straight-chain saturated fatty acid anion, a medium-chain fatty acid anion, an omega-methyl fatty acid anion and a fatty acid anion 12:0. It is a conjugate base of a dodecanoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Dodecanoate
- IUPAC
- dodecanoate
Namen und Synonyme
Dodecanoaten-Dodecanoatedodecylatelaurostearatevulvate1-undecanecarboxylateCHEBI:18262RefChem:1083953lauratedodecoateduodecyclateduodecylate
Weitere Namen anzeigen
Dodecanoate aniondodecanoate, 32qhd3ueuundecane-1-carboxylatetin II 2-ethylhexanoateBDBM23434POULHZVOKOAJMA-UHFFFAOYSA-M
Datenbank-Bezeichner
- CAS
115-05-9- PubChem CID
- 4149208
- DTXSID
DTXSID901316267- ChEMBL
CHEMBL108766- ChEBI
CHEBI:18262- Nikkaji
- J216.006D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,8
- Polarare Oberfläche (TPSA)
- 40,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 14
- Formalladung
- -1
- Komplexität
- 127
Sicherheit und Regulatorisches
Toxikologische Informationen
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemie und Industrie
Verwendung und Herstellung
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Zugehörige Reaktionen
33
Verknüpfte Notizen
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