기본 정보
- CAS
1113-60-6- 표준 SMILES
O=C(O)C(=O)CO- InChIKey
HHDDCCUIIUWNGJ-UHFFFAOYSA-N- 분자식
- C3H4O4
- 평균 분자량
- 104.06 g/mol
- 단동위원소 질량
- 104.01095861
개요
3-hydroxypyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. It has a role as an Escherichia coli metabolite and a human metabolite. It is a primary alpha-hydroxy ketone, a 2-oxo monocarboxylic acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a pyruvic acid. It is a conjugate acid of a 3-hydroxypyruvate.
이름 및 식별자
- 우선 이름
- Hydroxypyruvic acid
- IUPAC
- 3-hydroxy-2-oxopropanoic acid
- 현지명
- -하이드록시피루브산
- 영어명
- β-Hydroxypyruvic acid
- 분자식
- C3H4O4
- 분자량
- 104.06
이름 및 동의어
hydroxypyruvic acid3-Hydroxypyruvic acid3-Hydroxy-2-oxopropanoic acid1113-60-6hydroxypyruvatebeta-Hydroxypyruvatebeta-Hydroxypyruvic acid934B2KHY0SFEMA NO. 3843CHEBI:30841DTXSID401495883-HYDROXY-2-OXOPROPIONIC ACID
이름 더 보기
-하이드록시피루브산3-Hydroxypyruvateβ-hydroxypyruvic acidhydroxypyruvic aci3-hydroxypyruvicaciβ-hydroxy Pyruvic Acid-Hydroxypyruvic acid3-HYDROXY-2-OXOPROPIONICACIDB-hydroxypyruvic acid free acid
RefChem:147272DTXCID4072079619-885-53-hydroxy-2-oxopropanoate3-Hydroxypyruvic Acid-13C2MFCD00083380OH-pyruvateOH-pyr
데이터베이스 식별자
- CAS
1113-60-6- PubChem CID
- 964
- DTXSID
DTXSID40149588- ChEMBL
CHEMBL1230192
물성
구조 계산 물성
- XLogP
- -1
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 95.1
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
soluble in water at 50 g/l at 20�C and white petrolatum at <100 g/kg at 20�C
(in ethanol)
Boiling Point257 °C
Physical Description
Solid
white crystalline powder
물리화학적 성질
- 녹는점
- 202 ℃ · 202℃ (ethanol )
- 끓는 점
- 252.9 · 252.9±23.0 °C(Predicted)
- 밀도
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- FEMA
- 3843 · 3843 | 3-HYDROXY-2-OXOPROPIONIC ACID
- 저장 조건
- 2 · 2-8°C
- 용해도
- 10 mg/mL · 10mg/mL in PBS, pH7.2
- 산도 계수 (pKa)
- 2.19 · 2.19±0.54(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN3261 8/PG 3
- risk_code
- 22-34
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 OralSkin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
Cellular LocationsMitochondria
Metabolite Pathways3-Phosphoglycerate dehydrogenase deficiency
용도 및 제조
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
응용 분야
출처Reported found in blue cheese, provolone cheese, beer and cocoa
용도β-Hydroxypyruvic Acid is a metabolite involved in the pathway of carbon in photorespiration. It can also be used to treat fiber.
상·하류 제품 정보
하류 제품
공급사25 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
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