기본 정보
- CAS
103192-48-9- 표준 SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(=O)O- InChIKey
SYKWLIJQEHRDNH-KRPIADGTSA-N- 분자식
- C26H42N7O19P3S
- 평균 분자량
- 881.6 g/mol
- 단동위원소 질량
- 881.1469043
개요
Glutaryl-CoA is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
이름 및 식별자
- 우선 이름
- Glutaryl coenzyme A
- IUPAC
- 5-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acid
- 현지명
- 글루타릴코엔자임리튬염
- 영어명
- GLUTARYL COENZYME A LITHIUM SALT
- 분자식
- C26H43LiN7O19P3S
- 분자량
- 889.58
이름 및 동의어
Glutaryl coenzyme A103192-48-95-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-5-oxopentanoic acidGlutaryl coenzyme A Litium saltDTXSID30953358SYKWLIJQEHRDNH-KRPIADGTSA-NNS001254755'-O-[{[(4-{[3-({2-[(4-Carboxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)9-{5-O-[{[(4-{[3-({2-[(4-Carboxybutanoyl)sulfanyl]ethyl}imino)-3-hydroxypropyl]imino}-3,4-dihydroxy-2,2-dimethylbutoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine글루타릴코엔자임리튬염Glutaryl-CoAGlutaryl-CoA,dilithiumsalt
이름 더 보기
GLUTARYL COENZYME A LITHIUMGLUTARYL COENZYME A LITHIUM SALTGlutaryl coenzyme A lithium salt >=90%coenzyme A glutaryl derivative, lithium salt
물성
구조 계산 물성
- XLogP
- -5.8
- 극성 표면적
- 426 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 24
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,530
물리화학적 성질
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- Solid
- 색상
- White to off-white
- InChIKey
- SYKWLIJQEHRDNH-KRPIADGTSA-N
- SMILES
- [Li].CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Glutaryl coenzyme A lithium salt has been used:in comparative study of acylomes of β-Hydroxy β-methylglutaryl-CoA (HMG-CoA) and glutaryl-CoA by quantitative proteomics as a component of the assay buffer for in vitro biosensor activity experiments for FapR-NLuc proteins to test its effect on pyruvate kinase activity inhibition in a549 lysate
일반 설명Glutaryl coenzyme A (Glutaryl CoA) is an intermediate in the mitochondrial oxidation of lysine, hydroxylysine and tryptophan.
공급사8 곳
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Creative Enzymes1-516-855-7709 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海楷森生物科技有限公司17558870519 · [email protected]
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