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9-[(1-Oxohexadecyl)oxy]octadecanoic acid

HCID 72189985
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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
1481636-31-0
표준 SMILES
CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O
InChIKey
MHQWHZLXDBVXML-UHFFFAOYSA-N
분자식
C34H66O4
평균 분자량
538.898 g/mol
단동위원소 질량
538.49611059

이름 및 식별자

우선 이름
9-[(1-Oxohexadecyl)oxy]octadecanoic acid
IUPAC
9-(Hexadecanoyloxy)octadecanoic acid
영어명
9-PAHSA
분자식
C34H66O4
분자량
538.89

이름 및 동의어

9-PAHSAMHQWHZLXDBVXML-UHFFFAOYSA-N9-[(1-oxohexadecyl)oxy]-octadecanoicacidOctadecanoic acid, 9-[(1-oxohexadecyl)oxy]-

데이터베이스 식별자

CAS
1481636-31-0
PubChem CID
72189985
DTXSID
DTXSID101274990
ChEMBL
CHEMBL4744584
ChEBI
CHEBI:84425
Nikkaji
J278.973F

물성

물리화학적 성질

끓는 점
619.2 · 619.2±38.0 °C(Predicted)
밀도
0.916 · 0.916±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
20 mg/ml; · DMF: 20 mg/ml; DMSO: 15 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
산도 계수 (pKa)
4.78 · 4.78±0.10(Predicted)
물리적 상태
Solid
색상
White to off-white
InChI
1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)
InChIKey
MHQWHZLXDBVXML-UHFFFAOYSA-N
SMILES
CCCCCCCCCC(OC(CCCCCCCCCCCCCCC)=O)CCCCCCCC(O)=O

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
WGK 3
Hazard Classifications
Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 3Carc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3

화학 및 산업

응용 분야 · 3건

개요Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are newly identified endogenous lipids regulated by fasting and high-fat feeding and associated with insulin sensitivity. Structurally, these esters are comprised of a C-16 or C-18 fatty acid (e.g., palmitoleic, palmitic, oleic, or stearic acid) linked to a hydroxylated C-16 or C-18 lipid. 9-PAHSA is a FAHFA in which palmitic acid is esterified to 9-hydroxy stearic acid. PAHSAs are the most abundant forms of FAHFA in serum as well as white and brown adipose tissues of glucose tolerant AG4OX mice, which overexpress Glut4 specifically in adipose tissue. 9-PAHSA is the predominant isomer of PAHSA in wild type and AG4OX mice. It is found in humans and is reduced in the serum and adipose tissues of insulin-resistant humans. 9-PAHSA improves glucose tolerance, stimulates insulin secretion, and has anti-inflammatory effects in mice.

용도Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are newly identified endogenous lipids regulated by fasting and high-fat feeding and associated with insulin sensitivity. Structurally, these esters are comprised of a C-16 or C-18 fatty acid (e.g., palmitoleic, palmitic, oleic, or stearic acid) linked to a hydroxylated C-16 or C-18 lipid. 9-PAHSA is a FAHFA in which palmitic acid is esterified to 9-hydroxy stearic acid. PAHSAs are the most abundant forms of FAHFA in serum as well as white and brown adipose tissues of glucose tolerant AG4OX mice, which overexpress Glut4 specifically in adipose tissue. 9-PAHSA is the predominant isomer of PAHSA in wild type and AG4OX mice. It is found in humans and is reduced in the serum and adipose tissues of insulin-resistant humans. 9-PAHSA improves glucose tolerance, stimulates insulin secretion, and has anti-inflammatory effects in mice.[Cayman Chemical]

일반 설명9-(Palmitoyloxy)octadecanoic acid (9-PAHSA) is a palmitic acid ester of 9-hydroxystearic acid.

공급사15 곳

MedBio脉铂医药021-69568360 18916172912 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司

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