기본 정보
- CAS
820-11-1- 표준 SMILES
O=C(O)C(O)COP(=O)(O)O- InChIKey
OSJPPGNTCRNQQC-UHFFFAOYSA-N- 분자식
- C3H7O7P
- 평균 분자량
- 186.06 g/mol
- 단동위원소 질량
- 185.99293956
개요
3-phosphoglyceric acid is a monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle. It has a role as a fundamental metabolite and an algal metabolite. It is a monophosphoglyceric acid and a tetronic acid derivative. It is functionally related to a glyceric acid. It is a conjugate acid of a 3-phosphoglycerate, a 3-phosphoglycerate(3-) and a 3-phosphoglycerate(2-).
이름 및 식별자
- 우선 이름
- 3-Phosphoglycerate
- IUPAC
- 2-hydroxy-3-phosphonooxypropanoic acid
- 현지명
- 2-하이드록시-3-포스포노옥시-프로판산
- 영어명
- 2-hydroxy-3-phosphonooxy-propanoic acid
- 분자식
- C3H7O7P
- 분자량
- 186.06
이름 및 동의어
3-phosphoglycerateglycerate 3-phosphateRefChem:505004GlyTouCan:G50853HECHEBI:132960G50853HE820-11-13-phosphoglyceric acid2-hydroxy-3-phosphonooxypropanoic acid2-hydroxy-3-(phosphonooxy)propanoic acidGlyceric acid 3-phosphate3-Glycerophosphoric acid
이름 더 보기
2-하이드록시-3-포스포노옥시-프로판산β-Phosphate glyceric acid2-hydroxy-3-phosphonooxy-propanoic acid3-(Phosphonooxy)-2-hydroxypropanoic acid2-Hydroxy-3-(phosphonooxy)propionic acidPropanoic acid, 2-hydroxy-3-(phosphonooxy)-3Phosphoglyceric acid,3 Phosphoglyceric acid2-Hydroxy-3-(dihydroxyphosphinyloxy)propionic acid
CHEMBL87788CHEBI:170503-(dihydrogen phosphate)Glycerate3-(dihydrogen phosphate)Glyceric acidD-(-)-3-Phosphoglyceric acidGlyceric acid-3-phosphate3-P-D-glycerateGlycerol Impurity 11
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- -2.6
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 182
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organophosphates, Other
Physical DescriptionSolid
Collision Cross Section136.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
물리화학적 성질
- 끓는 점
- 536.6 · 536.6±60.0 °C(Predicted)
- 밀도
- 1.936 · 1.936±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.8 · 1.80±0.10(Predicted)
- 물리적 상태
- Solid
- 색상
- Pale purple to light pink
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency
공급사14 곳
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