조효소 A

보조효소A · 조효소A · 코엔자임에이 · COA · COA-SH · COENZYME A HYDRATE · Coalip · Lucina

https://huagongshe.com/ko/chemical/87642

식별자 및 물리적 특성

CAS No.	85-61-0
분자식	C21H36N7O16P3S
평균 분자량	767.5 g/mol
단동위원소 질량	767.11520896 g/mol
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@@H](O)C(=O)NCCC(=O)NCCS
InChIKey	RGJOEKWQDUBAIZ-IBOSZNHHSA-N
PubChem CID	87642
ChEMBL	CHEMBL1213327
ChEBI	CHEBI:15346
EC No.	201-619-0
DTXSID	DTXSID9048302
현지명	조효소 A

화학 및 물리적 성질

XLogP	-5.8
극성 표면적	348
수소 결합 공여자 수	10
수소 결합 수용자 수	21
회전 가능 결합 수	18
무거운 원자 수	48
형식 전하	0
복잡도	1,270
물질 분류	Biological Agents -> Other Biomolecules
의약품	Pharmaceuticals -> Listed in ZINC15
화장품	EmollientSolvent
Physical Description	White solid[Merck Index] White powder[Avanti Polar Lipids MSDS]
Collision Cross Section	255.5 Å² [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]241.54 Å² [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]
밀도	1.96±0.1 g/cm3(Predicted)
저장 조건	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
용해도	PBS (pH 7.2): 10 mg/ml
물리적 상태	결정성 고체
pKa(산도 계수)	9.6 (thiol)pK 6.4 (secondary phosphate)pK 4.0 (adenine NH3+)
색상	White to light yellow
생물학적 소스	yeast
Merck	13,2491
BRN	77809
화장품 원료 기능	피부 컨디셔닝
InChIKey	RGJOEKWQDUBAIZ-IBOSZNHHSA-N
SMILES	SCCNC(=O)CCNC(=O)[C@@H](C(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C3N=CN=C(N)C=3N=C2)[C@H](O)[C@@H]1OP(=O)(O)O)(C)C)O
LogP(분배 계수)	-4.358 (est)
EPA	Coenzyme A (85-61-0)

화학적 성질

yellowish lyophilisate

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 6.2% (2 of 32) of reports.WarningH315 (93.8%): 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 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Coenzyme A: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
유해성 요약	Rapidly oxidizes in air forming the catalytically inactive disulfide[Merck Index] May cause irritation[Avanti Polar Lipids MSDS]
Hazard Classes and Categories	Skin Irrit. 2 (93.8%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
관세 코드	2933299090
안전 문구(S)	24/25
F 고인화성물질	1-10
저장 분류	11 - Combustible Solids

용도

개요

Coenzyme A (CoA) is an essential cofactor functioning as an acyl group carrier and carbonyl-activating group for the citric acid cycle and fatty acid metabolism. About 4% of cellular enzymes utilize CoA as a substrate. It is synthesized from pantothenic acid in a 5-step process that requires ATP. The pantothenate kinase step of the CoA biosynthetic pathway has been identified as a target for the development of antibacterial compounds.

용도

A hydrated form of Coenzyme A (CoA) is a useful biochemical research chemical, used in the preparation of high-yielding cell-free protein synthesis platforms.

일반 설명

Coenzyme A (CoA) is a cofactor with a molecular weight of 797 Da. Its biological structure is formed from pantothenic acid (vitamin B5), cysteine and adenosine triphosphate through an evolutionarily conserved pathway. CoA is primarily involved in cellular oxidative pathways, including fatty acid beta-oxidation, carbohydrate, amino acid oxidation, and the Krebs cycle; as well as in lipid synthesis, protein modification, and membrane transport. CoA serves as a carrier for the activation of acyl groups, which can be transferred to amides, esters, or acid anhydrides. CoA can also be regulate a variety of metabolic processes at different levels as substrates, allosteric regulators, and through post-translational modifications of histones and other non-histone proteins. It is an essential cofactor in all organisms.