基本情報
- CAS
503-05-9- 標準SMILES
CCCCCCCCC1=C(CCCCCCC(=O)O)C1- InChIKey
HPSSZFFAYWBIPY-UHFFFAOYSA-N- 分子式
- C18H32O2
- 平均分子量
- 280.4 g/mol
- 単同位体質量
- 280.24023026
概要
Malvalic acid is a long-chain cyclopropenyl fatty acid comprising 8-heptadecenoic acid having a cyclopropene ring arising from the linking of C-8 and C-9 by a methylene substituent. It is a long-chain fatty acid, a cyclopropenyl fatty acid and a monounsaturated fatty acid.
名称と識別子
- 優先名称
- Malvalic acid
- IUPAC
- 7-(2-octylcyclopropen-1-yl)heptanoic acid
- 現地名
- 2-オクチル-1-シクロプロペン-1-ヘプタン酸
- 英語名
- malvalic acid
- 分子式
- C18H32O2
- 分子量
- 280.45
名称と別名
MALVALIC ACIDMalvic acid503-05-9Halphen acid7-(2-octylcyclopropen-1-yl)heptanoic acid02AJQ7VS2H8,9-methylene-8Z-heptadecenoic acid2-Octyl-1-cyclopropene-1-heptanoic acid1-Cyclopropene-1-heptanoic acid, 2-octyl-CHEBI:6673DTXSID50198300RefChem:155500
名称をさらに表示
マルバル酸2-オクチル-1-シクロプロペン-1-ヘプタン酸7-(2-オクチルシクロプロパ-1-エン-1-イル)ヘプタン酸Malvalic Acid Sodium Salt
DTXCID401207917-(2-octylcycloprop-1-en-1-yl)heptanoic acid1-Cyclopropene-1-heptanoicacid, 2-octyl-UNII-02AJQ7VS2HMalvalsaeureHSDB 3905SCHEMBL25251MALVALIC ACID [HSDB]
データベース識別子
- CAS
503-05-9- PubChem CID
- 10416
- DTXSID
DTXSID50198300- ChEBI
CHEBI:6673- UNII
- 02AJQ7VS2H
- Nikkaji
- J11.821D
物性
構造計算による物性
- XLogP
- 6.2
- 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
- 20
- 形式電荷
- 0
- 複雑度
- 305
実験および物理化学的性質
Chemical ClassesOther Classes -> Organic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Carbocyclic fatty acids [FA0114]
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。
危険有害性情報
Hazards SummaryMalvalic and sterculic acid are the primary cyclopropenoid fatty acids (CPRAs) in cottonseed oil; They are synergistic with aflatoxin B1, producing hepatic carcinoma in rainbow trout; [HSDB]
Special Reports
THE ROLE OF DIET & NUTRITION IN MODIFYING TUMOR INDUCTION BY CHEMICAL CARCINOGENS IN FOODS & FEEDS IS REVIEWED. FOOD CONTAMINANTS OF MAJOR CONCERN INCLUDE STERCULIC ACID & MALVALIC ACID.[PETERING HG; DIET, NUTRITION, AND CANCER; ADV EXP MED BIOL 91: 207 (1977)]
毒性情報
Interactions
RAINBOW TROUT FED A DIET CONTAINING 200 PPM OF STERCULIC ACID & MALVALIC ACID, SUBSTANCES THAT GREATLY INCR THE SENSITIVITY OF TROUT LIVER CELLS TO CARCINOGENIC EFFECTS OF AFLATOXIN B1. AFTER 4 WK, PECULIAR CLEFT-LIKE STRIATIONS APPEARED IN CYTOPLASM OF HEPATOCYTES. THESE ALTERATIONS BECAME PROGRESSIVELY MORE FREQUENT & MARKED WITH CONTINUED FEEDING OF DIET. AT 8 & 12 WK, ROUGH-SURFACED ENDOPLASMIC RETICULUM CONTAINED MANY PARALLEL ARRAYS & WHORLED PROFILES OF MEMBRANE MATERIAL. GLUCOSE-6-PHOSPHATASE ACTIVITY IN LIVER WAS SIGNIFICANTLY DECREASED.
安全データ
- 有毒物質データの
- 503-05-9(Hazardous Substances Data)
化学と産業
用途と製造
General Manufacturing Information
CYCLOPROPENOID FATTY ACIDS (CPFA), NATURALLY PRESENT IN COTTONSEED OIL, ARE CARCINOGENS & EXHIBIT A POTENT SYNERGISTIC EFFECT ON AFLATOXIN B1 HEPATOCARCINOGENESIS IN RAINBOW TROUT. THE PREDOMINANT CPFA CONSTITUENTS OF COTTONSEED OIL ARE MALVALIC & STERCULIC ACID.
MALAYSIAN KAPOK (C PENTANDRA) SEEDS CONTAIN ABOUT 28% OIL. THE OIL FROM BOTH RAW & ROASTED SEEDS PRODUCED A POSITIVE HALPHEN TEST FOR CYCLOPROPENOID FATTY ACIDS. ACID VALUE, FATTY ACID COMPOSITION BY GLC, I VALUE, REFRACTIVE INDEX, SAPONIFICATION NUMBER, & UNSAPONIFIABLES OF THE OIL WERE ALSO DETERMINED. THE VALUES (AREA %) FOR FATTY ACIDS AS METHYL ESTERS WERE: MALVALIC ACID (7.18%), C22:0 (0.44%) & STERCULIC ACID (2.96%). MALVALIC & STERCULIC ACIDS WERE DETERMINED AS SILVER NITRATE-METHANOL DERIVATIVES OF THEIR METHYL ESTERS.
上流・下流製品情報
上流原料
サプライヤー2 社
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
補足説明
定義ChEBI: A long-chain cyclopropenyl fatty acid comprising 8-heptadecenoic acid having a cyclopropene ring arising from the linking of C-8 and C-9 by a methylene substituent.
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