Hexadecanoic acid, ion(1-)

HCID 504166CAS 143-20-4

基本情報

標準SMILES: CCCCCCCCCCCCCCCC(=O)[O-]
InChIKey: IPCSVZSSVZVIGE-UHFFFAOYSA-M
分子式: C16H31O2-
平均分子量: 255.42 g/mol
単同位体質量: 255.23295381

概要

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.

名称と識別子

優先名称: Hexadecanoic acid, ion(1-)
IUPAC: hexadecanoate
英語名: hexadecanoate
分子式: C16H31O2-
分子量: 0

名称と別名

hexadecanoaten-HexadecanoateHexadecanoic acid, ion(1-)143-20-4n-hexadecoate1-hexyldecanoatepentadecanecarboxylateCHEBI:7896DTXSID40162272RefChem:1086523DTXCID60847631-Pentadecanecarboxylate

名称をさらに表示

HexadecylateCetylate3qlm3uewhexadecanoate (-1)3l1n69646-00-0Hexadecanoic acid, ion(1-) (9CI)

データベース識別子

CAS: 143-20-4
PubChem CID: 504166
DTXSID: DTXSID40162272
ChEBI: CHEBI:7896
Nikkaji: J941.534C

物性

構造計算による物性

XLogP: 7
極性表面積: 40.1 Å²
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: 13
重原子数: 18
形式電荷: -1
複雑度: 172

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.

補足説明

定義ChEBI: A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3.