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1,2-디팔미토일-SN-글리세로-3-포스포에타놀아민

1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine

HCID 445468
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
923-61-5
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
현지명
1,2-디팔미토일-SN-글리세로-3-포스포에타놀아민
영어명
1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine
분자식
C37H74NO8P
분자량
691.97

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
1,2-디팔미토일-SN-글리세로-3-포스포에타놀아민16:0 PEL-DPPESGX145SGX-145dipalmitoylDPPE L-2116beta-L-OddCCAS_923-61-5
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)

물성

구조 계산 물성보충 중

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 · 2건

Lipids -> Unambiguous Lipids

Lipids -> Glycerophospholipids [GP] -> Glycerophosphoethanolamines [GP02] -> Diacylglycerophosphoethanolamines [GP0201]

Physical DescriptionSolid
Collision Cross Section · 2건

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]-

물리화학적 성질

녹는점
195 to · 195.0 to 199.0 °C
끓는 점
723.6 · 723.6±70.0 °C(Predicted)
밀도
1.01 · 1.010±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
메탄올(약간)에 용해됨
물리적 상태
고체
산도 계수 (pKa)
1.17 · 1.17±0.50(Predicted)
색상
흰색에서 황백색까지
BRN
1730601 · 1730601

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

유해성 정보

Regulatory Information · 1건

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.

안전 데이터

wgk
3
HS 번호
29232000
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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)
응용 분야 · 3건

개요1,2-Dipalmitoyl-sn-glycero-3-PE (1,2-DPPE) is a naturally occurring PE containing C16:0 fatty acids at the sn-1 and sn-2 positions. It belongs to a class of phospholipids that are the most abundant lipids in the inner leaflet of the plasma membrane. 1,2-DPPE interacts with cholesterol to form a condensed lipid monolayer with tight hydrogen bonding of the 1,2-DPPE interheadgroups, resulting in a more fluid membrane that may aid in transport and signaling across the bilayer.1,2-Dipalmitoyl-sn-glycero-3-PE MaxSpec® standard is a quantitative grade standard of 1,2-dipalmitoyl-sn-glycero-3-PE that has been prepared specifically for mass spectrometry and related applications where quantitative reproducibility is required. The solution has been prepared gravimetrically and is supplied in a deactivated glass ampule sealed under argon. The concentration was verified by comparison to an independently prepared calibration standard. This 1,2-dipalmitoyl-sn-glycero-3-PE MaxSpec® standard is guaranteed to meet identity, purity, stability, and concentration specifications and is provided with a batch-specific certificate of analysis. Ongoing stability testing is performed to ensure the concentration remains accurate throughout the shelf life of the product. Note: The amount of solution added to the vial is in excess of the listed amount. Therefore, it is necessary to accurately measure volumes for preparation of calibration standards. Follow recommended storage and handling conditions to maintain product quality.

용도1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine is used in model membrane .

관련 반응

1건
반응 기록 만들기
HRID 514321 반응식
HRID 514321반응물로uspto-grants-2015_08

화합물 노트

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데이터베이스 식별자

CAS
923-61-5
PubChem CID
445468
DTXSID
DTXSID90919258
ChEBI
CHEBI:73127
UNII
4FWH120Z1Z
EC Number
213-097-1
Nikkaji
J76.013G
InChIKey
SLKDGVPOSSLUAI-BSICABFTNA-N
SMILES
[C@H](COP(O)(=O)OCCN)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |&1:0,r|

일반 설명Phosphatidylethanolamine is an aminophospholipid. It is present in eukaryotic and prokaryotic cells. Phosphatidylethanolamine is one of the most abundant glycerophospholipids in biological membranes. It is found in nervous tissue.

상·하류 제품 정보

상류 원료

Hexadecanoic acid, (1R)-1-[[[[bis(1-methylethyl)amino]methoxyphosphino]oxy]methyl]-1,2-ethanediyl ester (9CI)
추가 설명 · 1건

정의ChEBI: 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.