기본 정보
- CAS
4374-62-3- 표준 SMILES
CCC(CO)C(=O)O- InChIKey
ZMZQVAUJTDKQGE-UHFFFAOYSA-N- 분자식
- C5H10O3
- 평균 분자량
- 118.13 g/mol
- 단동위원소 질량
- 118.06299418
개요
2-ethylhydracrylic acid is a branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism. It has a role as a human metabolite. It is a hydroxy fatty acid, a short-chain fatty acid and a branched-chain saturated fatty acid. It is a conjugate acid of a 2-ethylhydracrylate.
이름 및 식별자
- 우선 이름
- 2-Ethyl-3-hydroxypropionic acid
- IUPAC
- 2-(hydroxymethyl)butanoic acid
- 현지명
- 2-(히드록시메틸)-부탄산
- 영어명
- 2-(hydroxymethyl)-Butanoic acid
- 분자식
- C5H10O3
- 분자량
- 118.13
이름 및 동의어
4374-62-32-Ethylhydracrylic acid2-(Hydroxymethyl)butyric acid2-Ethyl-3-hydroxypropionic acidCHEBI:82956Butanoic acid, 2-(hydroxymethyl)-RefChem:9097982-(hydroxymethyl)butanoic acid3-Hydroxy-2-ethylpropionic acid2-ethyl-hydracrylic acidbeta-Hydroxy-alpha-ethylpropionic acid2-(hydroxymethyl)-Butyric acid
이름 더 보기
2-(히드록시메틸)-부탄산2-methylolbutyric acid2-(hydroxymethyl)-Butanoic acid
3-hydroxy-2-ethylpropanoic acid2-ethyl-3-hydroxy-propionic acid2-(Hydroxymethyl)butyrate3-hydroxy-2-ethylpropanoate3-Hydroxy-2-ethylpropionateMFCD14583063b-Hydroxy-a-ethylpropionate2-(hydroxymethyl)-Butyrate
데이터베이스 식별자
- CAS
4374-62-3- PubChem CID
- 188979
- DTXSID
DTXSID30863387- ChEMBL
CHEMBL1160011- ChEBI
CHEBI:82956
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 79.7
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105]
Physical DescriptionSolid
물리화학적 성질
- 끓는 점
- 100 °C · 100 °C(Press: 0.0001 Torr)
- 밀도
- 1.116 g/cm3 · 1.116 g/cm3(Temp: 25 °C)
- 저장 조건
- -20 °C · -20°C Freezer, Under inert atmosphere
- 용해도
- Acetone (Slightly), Chloroform, DMSO (Sparingly), Ethyl Acetate (Slightly)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 4.33 · 4.33±0.10(Predicted)
- 색상
- 무색
화학 및 산업
약리 정보
Tissue LocationsPlacenta
응용 분야
용도2-(Hydroxymethyl)butanoic Acid was used as a substrate to study the activity of 2-methyl-3hydroxybutyryl-CoA dehydrogenase deficiency in patients and carriers.
상·하류 제품 정보
하류 제품
공급사12 곳
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常州宣叶科技有限公司15195022192 · [email protected]
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江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
南京新瑞医药科技有限公司19850079587 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
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