기본 정보
- CAS
85046-18-0- 표준 SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]- InChIKey
DBHKHNGBVGWQJE-USWSLJGRSA-N- 분자식
- C23H44NO7P
- 평균 분자량
- 477.6 g/mol
- 단동위원소 질량
- 477.28553974
개요
1-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion is a lysophosphatidylethanolamine zwitterion obtained by transfer of a proton from the phosphate group to the amino group of 1-linoleoyl-sn-glycero-3-phosphoethanolamine. Major species at pH 7.3. It has a role as a human metabolite. It is a 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion and a lysophosphatidylethanolamine zwitterion 18:2. It is a tautomer of a 1-linoleoyl-sn-glycero-3-phosphoethanolamine.
이름 및 식별자
- 우선 이름
- 1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine
- IUPAC
- 2-azaniumylethyl [(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] phosphate
- 영어명
- 9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester
- 분자식
- C23H44NO7P
- 분자량
- 477.57
이름 및 동의어
1-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine1-18:2-lysoPE1-linoleoyl-GPE zwitterionCHEBI:1337321-linoleoylglycerophosphoethanolaminePE(18:2(9Z,12Z)) zwitterion1-linoleoyl-GPE (18:2) zwitterionLPE(18:2(9Z,12Z)) zwitterion1-18:2-2-lysophosphatidylethanolaminePE(18:2(9Z,12Z)/0:0) zwitterionLPE(18:2(9Z,12Z)/0:0) zwitterion1-(linoleoyl)-sn-glycero-3-phosphoethanolamine
이름 더 보기
LysoPE 18:2LysoPE(18:2/0:0)9,12-Octadecadienoic acid (9Z,12Z)-, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester
1-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterionlysophosphatidylethanolamine (18:2(9Z,12Z)) zwitterionlysophosphatidylethanolamine (18:2(9Z,12Z)/0:0) zwitterion2-azaniumylethyl (2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl phosphate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 23
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 546
실험 및 물리화학적 성질
LipidsLipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Monoacylglycerophosphoethanolamines [GP0205]
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 597.5 · 597.5±60.0 °C(Predicted)
- 밀도
- 1.098 · 1.098±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.14 · 1.14±0.50(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
공급사2 곳
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