기본 정보
- CAS
96687-22-8- 표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH+](C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC- InChIKey
XHPZRQBHFOVLEJ-UNUIOPIBSA-N- 분자식
- C43H82NO8P
- 평균 분자량
- 772.1 g/mol
- 단동위원소 질량
- 771.57780557
개요
1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion is a 1,2-diacyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion in which the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It has a role as a human metabolite. It is a tautomer of a 1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine.
이름 및 식별자
- 우선 이름
- (2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(dimethylazaniumyl)ethyl phosphate
- IUPAC
- [(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2-(dimethylazaniumyl)ethyl phosphate
- 영어명
- 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl
- 분자식
- C43H82NO8P
- 분자량
- 772.09
이름 및 동의어
CHEBI:85680XHPZRQBHFOVLEJ-UNUIOPIBSA-N1,2-dioleoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion(2R)-2,3-bis{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(dimethylazaniumyl)ethyl phosphate1,2-di-(9Z-octadecenoyl)-sn-glycero-3-phospho-N,N-dimethylethanolamine zwitterion18:1 Dimethyl PE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl, chloroform18:1 Dimethyl PE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl, powder18:1 DIMETHYL PEN,N-dimethyl-1,2-dioleoylphosphatidylethanolamine1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine-N,N-dimethyl1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE-N,N-DIMETHYL18:1 DIMETHYL PE
이름 더 보기
9-Octadecenoic acid (9Z)-, 1,1'-[(1R)-1-(3-hydroxy-7-methyl-3-oxido-2,4-dioxa-7-aza-3-phosphaoct-1-yl)-1,2-ethanediyl] ester (9CI)
물성
구조 계산 물성
- XLogP
- 13.7
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 42
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 933
실험 및 물리화학적 성질
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]
Physical DescriptionSolid
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- powder
- InChIKey
- XHPZRQBHFOVLEJ-UNUIOPIBSA-N
- SMILES
- [H][C@@](COP([O-])(OCC[N+](C)(C)[H])=O)(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=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
약리 정보
Cellular LocationsMembrane
공급사6 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…