基本情報
- CAS
115-05-9- 標準SMILES
CCCCCCCCCCCC(=O)[O-]- InChIKey
POULHZVOKOAJMA-UHFFFAOYSA-M- 分子式
- C12H23O2-
- 平均分子量
- 199.31 g/mol
- 単同位体質量
- 199.17035356
概要
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.
名称と識別子
- 優先名称
- Dodecanoate
- IUPAC
- dodecanoate
名称と別名
Dodecanoaten-Dodecanoatedodecylatelaurostearatevulvate1-undecanecarboxylateCHEBI:18262RefChem:1083953lauratedodecoateduodecyclateduodecylate
名称をさらに表示
Dodecanoate aniondodecanoate, 32qhd3ueuundecane-1-carboxylatetin II 2-ethylhexanoateBDBM23434POULHZVOKOAJMA-UHFFFAOYSA-M
データベース識別子
- CAS
115-05-9- PubChem CID
- 4149208
- DTXSID
DTXSID901316267- ChEMBL
CHEMBL108766- ChEBI
CHEBI:18262- Nikkaji
- J216.006D
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 40.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 9
- 重原子数
- 14
- 形式電荷
- -1
- 複雑度
- 127
安全と法規制
毒性情報
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学と産業
用途と製造
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
関連反応
33 件
化合物ノート
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