14-メチルヘキサデカン酸
Anteisoheptadecanoic acid
基本情報
- CAS
5746-59-8- 標準SMILES
CCC(C)CCCCCCCCCCCCC(=O)O- InChIKey
FXUKWLSZZHVEJD-UHFFFAOYSA-N- 分子式
- C17H34O2
- 平均分子量
- 270.5 g/mol
- 単同位体質量
- 270.25588032
概要
14-methylhexadecanoic acid is a methyl-branched fatty acid that is hexadecanoic acid (palmitic acid) substituted by a methyl group at position 14. It has a role as a mammalian metabolite and a plant metabolite. It is a long-chain fatty acid, a branched-chain saturated fatty acid and a methyl-branched fatty acid. It is functionally related to a hexadecanoic acid.
名称と識別子
- 優先名称
- Anteisoheptadecanoic acid
- IUPAC
- 14-methylhexadecanoic acid
- 現地名
- 14-メチルヘキサデカン酸
- 英語名
- 14-Methylhexadecanoic acid
- 分子式
- C17H34O2
- 分子量
- 270.45
名称と別名
14-METHYLHEXADECANOIC ACID5918-29-6Anteisoheptadecanoic acid14-Methylpalmitic acid14-methyl-hexadecanoic acidCHEBI:84874DTXSID60974612RefChem:915945DTXCID701402036637-371-9Hexadecanoic acid, 14-methyl-(+)-14-methyl palmitic acid
名称をさらに表示
14-メチルヘキサデカン酸14‐メチルヘキサデカン酸アンテイソマーガリン酸ANTEISO C17 ACID14-methyl Palmitic AcidANTEISO-HEPTADECANOIC ACID14-Methylhexadecanoic acid, anteiso C17 Fatty acid
14-METHYLHEXADECANOICACIDSCHEMBL347119orb2944095SCHEMBL8813300LMFA01020011MFCD00214328TCL-00066PD078020
データベース識別子
- CAS
5746-59-8、5918-29-6- PubChem CID
- 22207
- DTXSID
DTXSID60974612- ChEBI
CHEBI:84874- EC Number
- 637-371-9
物性
構造計算による物性
- XLogP
- 6.6
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 14
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 201
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Melting Point39.5 - 40 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 36.8 °C · 36.8 °C
- 沸点
- 358.05 °C · 358.05°C (estimate)
- 比重(密度)
- 0.8791 · 0.8791 (rough estimate)
- 屈折率
- 1.4405 · 1.4405 (estimate)
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform: Soluble,Ethanol: Soluble,Ether: Soluble
- 外見
- powder
- 酸解離定数(Pka)
- 4.78 · 4.78±0.10(Predicted)
- 由来生物
- synthetic (organic)
- InChI
- 1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
- InChIKey
- FXUKWLSZZHVEJD-UHFFFAOYSA-N
- SMILES
- CCC(C)CCCCCCCCCCCCC(O)=O
- LogP
- 7.5 · 7.500 (est)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
安全データ
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Cellular LocationsExtracellular
応用分野
説明14-methyl Palmitic acid is a methylated fatty acid that has been found in bacteria, bovine milk fat, Aegean jellyfish (A. aurita), and one-humped camel (C. dromedarius) meat and fat. It is also found in human breast milk and levels are decreased in mature breast milk compared to colostrum. 14-methyl Palmitic acid is produced in Florida manatee (T. manatus latirostris) liver in response to brevetoxin exposure. [Matreya, LLC. Catalog No. 1616]
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