1-ARACHIDOYL-2-HYDROXY-SN-글리세로-3-포스포콜린
1-Eicosanoyl-sn-glycero-3-phosphocholine
기본 정보
- CAS
108341-80-6- 표준 SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C- InChIKey
UATOAILWGVYRQS-HHHXNRCGSA-N- 분자식
- C28H58NO7P
- 평균 분자량
- 551.7 g/mol
- 단동위원소 질량
- 551.39509019
개요
1-icosanoyl-sn-glycero-3-phosphocholine is a 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as icosanoyl. It is a 1-O-acyl-sn-glycero-3-phosphocholine and a lysophosphatidylcholine 20:0. It is functionally related to an icosanoic acid.
이름 및 식별자
- 우선 이름
- 1-Eicosanoyl-sn-glycero-3-phosphocholine
- IUPAC
- [(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
- 현지명
- 1-ARACHIDOYL-2-HYDROXY-SN-글리세로-3-포스포콜린
- 영어명
- 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine
- 분자식
- C28H58NO7P
- 분자량
- 551.75
이름 및 동의어
1-eicosanoyl-sn-glycero-3-phosphocholine[(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate((2R)-2-hydroxy-3-icosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphateRefChem:1055356108341-80-61-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine1-arachidoyl-sn-glycero-3-phosphocholineLPC(20:0)3,5,9-Trioxa-4-phosphanonacosan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-LysoPC(20:0)LPC(20:0/0:0)Lysophosphatidylcholine(20:0)
이름 더 보기
1-ARACHIDOYL-2-HYDROXY-SN-글리세로-3-포스포콜린Lyso PC(20:0/0:0)LYSO-PC 20:0(95% CP)UNLABELED(R)-2-hydroxy-3-(icosanoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate
LysoPC(20:0/0:0)PC(20:0/0:0)Lysophosphatidylcholine(20:0/0:0)1-arachidonyl-glycero-3-phosphocholine1-icosanoyl-sn-glycero-3-phosphocholine(2-{[(2R)-2-hydroxy-3-(icosanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium20:0 Lyso PCLPC 20:0
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 28
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 575
실험 및 물리화학적 성질
Lipids
Lipids -> Unambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphocholines [GP01] -> Monoacylglycerophosphocholines [GP0105]
Physical DescriptionSolid
Collision Cross Section
244.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
248.29 Ų [M+CH3COO]- [CCS Type: TIMS; Method: single field calibrated]
248.6 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
243.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
257.7 Ų [M+HCOO]- [CCS Type: TIMS; Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)]
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
약리 정보
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
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