기본 정보
- CAS
70812-59-8- 표준 SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+]- InChIKey
DRIVXEVMDWCWLI-CAQMIEAISA-N- 분자식
- C41H74NO8P
- 평균 분자량
- 740 g/mol
- 단동위원소 질량
- 739.51520532
개요
1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5Z,8Z,11Z,14Z-eicosatetraenoyl (arachidonoyl) respectively. It has a role as a mouse metabolite. It is a PE(16:0_20:4) and a 1,2-diacyl-sn-glycero-3-phosphoethanolamine. It is functionally related to a hexadecanoic acid and an arachidonic acid. It is a tautomer of a 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phosphoethanolamine zwitterion.
이름 및 식별자
- 우선 이름
- 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine
- IUPAC
- 2-azaniumylethyl [(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] phosphate
- 영어명
- 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine
- 분자식
- C41H74NO8P
- 분자량
- 740
이름 및 동의어
1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine70812-59-816:0-20:4 PE2-azaniumylethyl [(2R)-3-hexadecanoyloxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] phosphate2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolaminephosphatidylethanolamine(36:4)1-palmitoyl-2-arachidonoyl-GPECHEBI:73009CHEBI:73117DRIVXEVMDWCWLI-CAQMIEAISA-NGPEtn(16:0/20:4omega6)PE(16:0/20:4omega6)
이름 더 보기
1-Palmitoyl-2-Arachidonoyl-sn-glycero-3-PE(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoic acid, (1R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxohexadecyl)oxy]ethyl ester
DTXSID901335904Phosphatidylethanolamine(16:0/20:4)PD130757GPE(16:0/20:4)Phosphatidylethanolamine(16:0/20:4omega6)1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)1-hexadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine1-hexadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoethanolamine zwitterion
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 11.6
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 39
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 972
실험 및 물리화학적 성질
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]
Physical DescriptionSolid
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 용해도
- 5 mg/ml · Chloroform: 5 mg/ml
- 물리적 상태
- powder
- InChIKey
- DRIVXEVMDWCWLI-CAQMIEAISA-N
- SMILES
- [H][C@@](COP([O-])(OCC[NH3+])=O)(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCC)=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
- 스토리지 클래스
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(16:0/20:4(5Z,8Z,11Z,14Z))
응용 분야
용도sn-PAPE is used in the mRNA combination therapy for treatment of cancer.
공급사8 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
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