기본 정보
- CAS
17041-44-0- 표준 SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
GDWULUGDXGHJIJ-VJHNMZKJSA-N- 분자식
- C44H82NO8P
- 평균 분자량
- 784.1 g/mol
- 단동위원소 질량
- 783.57780557
개요
1-oleoyl-2-linoleoyl-sn-glycero-3-phosphocholine is a phosphatidylcholine 36:3 in which the two acyl substituents at positions 1 and 2 are specified as oleoyl and linoleoyl respectively. It has a role as a mouse metabolite. It is a 1-acyl-2-linoleoyl-sn-glycero-3-phosphocholine betaine and a phosphatidylcholine 36:3. It is functionally related to an oleic acid.
이름 및 식별자
- 우선 이름
- 1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine
- IUPAC
- [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
이름 및 동의어
1-(9Z-octadecenoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine17041-44-01-oleoyl-2-linoleoyl-sn-glycero-3-phosphocholinePC(18:1(9Z)/18:2(9Z,12Z))Phosphatidylcholine(18:1/18:2)[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate1-oleoyl-2-linoleoyl-GPCSCHEMBL3730490CHEBI:74670DTXSID501239881PC(18:1omega9/18:2omega6)LMGP01010895
이름 더 보기
1-18:1-2-18:2-phosphatidylcholine1-oleoyl-2-linoleoyl-phosphatidylcholinephosphatidylcholine (1-18:1-2-18:2)GPC(18:1/18:2)1-oleoyl-2-linoleoyl-GPC (18:1/18:2)phosphatidylcholine(18:1omega9/18:2omega6)18:1-18:2-PCPC 18:1(9Z)/18:2(9Z,12Z)
데이터베이스 식별자
- CAS
17041-44-0- PubChem CID
- 24778939
- DTXSID
DTXSID501239881- ChEBI
CHEBI:74670- Nikkaji
- J353.221F
물성
구조 계산 물성
- XLogP
- 13.1
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 41
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,010
실험 및 물리화학적 성질
Lipids
Lipids -> Ambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Diacylglycerophosphocholines [GP0101]
Physical DescriptionSolid
Collision Cross Section293.5 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids]
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(18:1(9Z)/18:2(9Z,12Z))
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