기본 정보
- CAS
35418-58-7- 표준 SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC- InChIKey
PUDHBQQGURLBGJ-IVFHWKNFSA-N- 분자식
- C44H80NO8P
- 평균 분자량
- 782.1 g/mol
- 단동위원소 질량
- 781.56215551
개요
1-arachidonoyl-2-palmitoyl-sn-glycero-3-phosphocholine is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at position 1 and 2 are specified as arachidonoyl and palmitoyl respectively. It is a phosphatidylcholine (20:4/16:0) and a 1,2-diacyl-sn-glycero-3-phosphocholine. It is functionally related to a hexadecanoic acid and an arachidonic acid.
이름 및 식별자
- 우선 이름
- PC(20:4(5Z,8Z,11Z,14Z)/16:0)
- IUPAC
- [(2R)-2-hexadecanoyloxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- 현지명
- 1-팔미토일-2-아라키도일레시틴
- 영어명
- 1-PalMitoyl-2-arachidoyllecithin
- 분자식
- C44H80NO8P
- 분자량
- 782.08
이름 및 동의어
PC(20:4(5Z,8Z,11Z,14Z)/16:0)RefChem:1094372118139-93-8PC(20:4/16:0)Phosphatidylcholine(20:4/16:0)GPCho(20:4/16:0)GPCho(20:4n6/16:0)Phosphatidylcholine(20:4n6/16:0)1-arachidonoyl-2-palmitoyl-sn-glycero-3-phosphocholine2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphocholinePC(20:4n6/16:0)1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholine
이름 더 보기
1-팔미토일-2-아라키도일레시틴16:0-20:4 PC - IsoPureIIZPXYDJLKNOIY-JXPKJXOSSA-N1-PalMitoyl-2-arachidoyllecithin1-Palmitoyl-2-Arachidonoyl-sn-glycero-3-PC(2-{[(2R)-3-(Hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
orb3138058SCHEMBL19651935CHEBI:77694DTXSID70647289GPCho(20:4omega6/16:0)PC(20:4omega6/16:0)(R)-3-((5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoyloxy)-2-(palmitoyloxy)propyl (2-(trimethylammonio)ethyl) PhosphateKBA41858
물성
구조 계산 물성
- XLogP
- 12.6
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 40
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,060
실험 및 물리화학적 성질
Lipids
Lipids -> Ambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Diacylglycerophosphocholines [GP0101]
Physical DescriptionSolid
Collision Cross Section295.5 Ų [M+CH3COO]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Ambiguous Lipids]
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 클로로포름: 용해성
- 물리적 상태
- liquid
- 산도 계수 (pKa)
- 1.161 · 1.161±0.50(predicted)
- 색상
- Colorless to light yellow
- 주요 응용
- 리피도믹스
- InChIKey
- PUDHBQQGURLBGJ-IVFHWKNFSA-N
- SMILES
- [P](=O)([O-])(OC[C@H](OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OCC[N+](C)(C)C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- ridadr
- UN 1888 6.1 / PGIII
- risk_code
- 63-20-22-36/38-40-48/20/22-67
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard Classifications
- Acute Tox. 3 InhalationAcute Tox. 4 OralAquatic Chronic 3Carc. 2Eye Irrit. 2Repr. 2Skin Irrit. 2STOT RE 1STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(20:4(5Z,8Z,11Z,14Z)/16:0)
응용 분야
개요1-Palmitoyl-2-arachidonoyl-sn-glycero-3-PC (PAPC) is a phospholipid containing palmitic acid (16:0) and arachidonic acid (20:4) at the sn-1 and sn-2 positions, respectively, that is found in biological membranes. PAPC is oxidized in vivo, and its oxidation products are involved in chronic inflammation and vascular disease. PAPC has been used to study signaling of oxidized phospholipids. Levels of PAPC are decreased in isolated human multiple myeloma cells.
용도1-Palmitoyl-2-arachidoyllecithin, is a phospholipid, that can be used for the studies, and elevation of autoantibodies against oxidized palmitoyl arachidonoyl phosphocholine in patients with hypertension and myocardial infarction.
일반 설명Phosphatidylcholine (PC) is one of the major glycerophospholipids of the eukaryotic membranes. PC is zwitterionic. PC is synthesized via two pathways in higher eukaryotes like the triple methylation of phosphatidylethanolamine and the cytidine diphosphate (CDP)-choline pathway.
공급사31 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
广州伟伯科技有限公司[email protected]
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