2-디히드록시포스피노일옥시아크릴산
Phosphoenolpyruvate
기본 정보
- CAS
138-08-9- 표준 SMILES
C=C(OP(=O)(O)O)C(=O)O- InChIKey
DTBNBXWJWCWCIK-UHFFFAOYSA-N- 분자식
- C3H5O6P
- 평균 분자량
- 168.04 g/mol
- 단동위원소 질량
- 167.98237487
개요
Phosphoenolpyruvic acid is a monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis. It has a role as a fundamental metabolite. It is a monocarboxylic acid and a carboxyalkyl phosphate. It is functionally related to an acrylic acid. It is a conjugate acid of a phosphoenolpyruvate and a phosphonatoenolpyruvate.
이름 및 식별자
- 우선 이름
- Phosphoenolpyruvate
- IUPAC
- 2-phosphonooxyprop-2-enoic acid
- 현지명
- 2-디히드록시포스피노일옥시아크릴산
- 영어명
- 2-dihydroxyphosphinoyloxyacrylic acid
- 분자식
- C3H5O6P
- 분자량
- 168.04
이름 및 동의어
phosphoenolpyruvatePhosphoenolpyruvic acid138-08-92-(phosphonooxy)prop-2-enoic acid2-Phosphonooxyprop-2-enoic acid2-(phosphonooxy)-2-propenoic acid2-(phosphonooxy)-2-propenoate545YL308OWCHEBI:44897DTXSID808617971-carboxyethenoxy(oxonio)phosphinate2-(hydroxy(oxonio)phosphoryl)oxyprop-2-enoate
이름 더 보기
2-디히드록시포스피노일옥시아크릴산PEP【phosphate】2-PhosphoenolpyruvatePhosphoenolpyruvicacid2-Phosphonooxypropenoic acid2-(Phosphonooxy)acrylic acidGlucosamine Hydrochloride Impurity 262-dihydroxyphosphinoyloxyacrylic acid2-(Dihydroxyphosphinyloxy)acrylic acid
CHEBI:18021DTXSID00223277RefChem:173566DTXCID00145768DTXCID90197579200-804-32-Propenoic acid, 2-(phosphonooxy)-Phosphopyruvic acid
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- -1.1
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 201
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Other Biomolecules
DrugsPharmaceuticals -> Listed in ZINC15
Physical DescriptionSolid
Collision Cross Section
138 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
164.28 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
131 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine]
163.7 Ų [M-H]-
물리화학적 성질
- 끓는 점
- 466.7 · 466.7±47.0 °C(Predicted)
- 밀도
- 1.804 · 1.804±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.39 · 1.39±0.10(Predicted)
- EPA
- Phosphopyruvic acid (138-08-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2-Propenoic acid, 2-(phosphonooxy)-
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite PathwaysAmino Sugar Metabolism
용도 및 제조
General Manufacturing Information2-Propenoic acid, 2-(phosphonooxy)-: INACTIVE
상·하류 제품 정보
상류 원료
관련 반응
16건
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