基本信息
- 标准SMILES
CCCCCCCCCCCCCCCC(=O)[O-]- InChIKey
IPCSVZSSVZVIGE-UHFFFAOYSA-M- 分子式
- C16H31O2-
- 平均分子量
- 255.42 g/mol
- 单同位素质量
- 255.23295381
概述
Hexadecanoate is a long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite and a human metabolite. It is a long-chain fatty acid anion, an omega-methyl fatty acid anion, a fatty acid anion 16:0 and a 2-saturated fatty acid anion. It is a conjugate base of a hexadecanoic acid.
名称与标识
- 首选名称
- Hexadecanoic acid, ion(1-)
- IUPAC
- hexadecanoate
- 英文名
- hexadecanoate
- 分子式
- C16H31O2-
- 分子量
- 0
名称与别名
hexadecanoaten-HexadecanoateHexadecanoic acid, ion(1-)143-20-4n-hexadecoate1-hexyldecanoatepentadecanecarboxylateCHEBI:7896DTXSID40162272RefChem:1086523DTXCID60847631-Pentadecanecarboxylate
展开更多名称
HexadecylateCetylate3qlm3uewhexadecanoate (-1)3l1n69646-00-0Hexadecanoic acid, ion(1-) (9CI)
数据库标识
- CAS
143-20-4- PubChem CID
- 504166
- DTXSID
DTXSID40162272- ChEBI
CHEBI:7896- Nikkaji
- J941.534C
性质
结构计算性质
- XLogP
- 7
- 极性表面积
- 40.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 13
- 重原子
- 18
- 形式电荷
- -1
- 复杂度
- 172
安全与法规
毒理信息
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
化学与工业
用途与制造
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
相关反应
5 条
关联笔记
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