기본 정보
- 표준 SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC- InChIKey
SLKDGVPOSSLUAI-PGUFJCEWSA-N- 분자식
- C37H74NO8P
- 평균 분자량
- 692 g/mol
- 단동위원소 질량
- 691.51520496
개요
1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are both specified as hexadecanoyl (palmitoyl). It has a role as a mouse metabolite. It is functionally related to a hexadecanoic acid. It is a tautomer of a 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine zwitterion.
이름 및 식별자
- 우선 이름
- 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine
- IUPAC
- [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
이름 및 동의어
923-61-51,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine4FWH120Z1ZCHEBI:731271,2-Dihexadecanoyl-sn-glycerol-3-phosphorylethanolamine2-aminoethyl (2R)-2,3-bis(palmitoyloxy)propyl hydrogen phosphate2-aminoethyl (2R)-2,3-bis(hexadecanoyloxy)propyl hydrogen phosphateRefChem:411644213-097-1C37H74NO8PPE(16:0/16:0)
이름 더 보기
Dipalmitoyl phosphatidylethanolamineMFCD00036776EINECS 213-097-11,2-Dipalmitoyl-sn-glycero-3-phosphorylethanolamineGPEtn(32:0)Phophatidylethanolamine(32:0)DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINEGPEtn(16:0/16:0)
데이터베이스 식별자
- CAS
923-61-5- PubChem CID
- 445468
- DTXSID
DTXSID90919258- ChEBI
CHEBI:73127- UNII
- 4FWH120Z1Z
- EC Number
- 213-097-1
- Nikkaji
- J76.013G
물성
구조 계산 물성
- XLogP
- 10.3
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 39
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 754
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Lipids
Lipids -> Unambiguous Lipids
Lipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]
Physical DescriptionSolid
Collision Cross Section
260.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
262.5 Ų [M-H]-
안전 및 규제
유해성 정보
Regulatory Information
Hexadecanoic acid, (1R)-1-(2-aminoethoxy)hydroxyphosphinyloxymethyl-1,2-ethanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Tissue LocationsAll Tissues
Cellular LocationsExtracellular
Metabolite PathwaysPhosphatidylcholine Biosynthesis PC(16:0/16:0)
관련 반응
1건
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