Coenzyme A, oxidized lithium salt

SIGMA/C2643 - ≥85%

Synonym: CoA-S-S-CoA

CAS Number: 31664-36-5 (free acid)
Empirical Formula (Hill Notation): C₄₂H₇₀N₁₄O₃₂P₆S₂ · xLi⁺
Molecular Weight: 1533.05 (free acid basis)
Linear Formula: C₄₂H₇₀N₁₄O₃₂P₆S₂ · xLi⁺
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-C2643-5MG	5 mg	$187.00 1/EA	Add To Favorites
45-C2643-10MG	10 mg	$334.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	≥85%
form	solid
InChI	1S/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-24(58)6-8-48-38(64)32(62)42(3,4)16-82-94(77,78)88-92(73,74)80-14-22-30(86-90(68,69)70)28(60)40(84-22)56-20-54-26-34(44)50-18-52-36(26)56/h17-22,27-32,39-40,59-62H,5-16H2,1-4H3,(H,45,57)(H,46,58)(H,47,63)(H,48,64)(H,71,72)(H,73,74)(H,75,76)(H,77,78)(H2,43,49,51)(H2,44,50,52)(H2,65,66,67)(H2,68,69,70)/t21-,22-,27-,28-,29-,30-,31+,32+,39-,40-/m1/s1
InChI key	YAISMNQCMHVVLO-ODFVJXNFSA-N
Quality Level	200
SMILES string	[P](=O)(O[P](=O)(OCC([C@@H](O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@H](O)C(CO[P](=O)(O[P](=O)(OC[C@H]4O[C@H]([C@@H]([C@@H]4O[P](=O)(O)O)O)[n]5c6ncnc(c6nc5)N)O)O)(C)C)(C)C)O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O[P](=O)(O)O)O)[n]2c3ncnc(c3nc2)N)O
storage temp.	−20°C

Application:	Coenzyme A oxidized lithium salt has been used in the preparation of the coenzyme A persulfide (CoASSH) standard to quantify the CoASSH in Staphylococcus aureus strains by tandem mass spectrometry.
Biochem/physiol Actions:	Coenzyme A (CoA) plays a role as an acyl-group carrier and carbonyl activator in several biochemical reactions like the tricarboxylic acid cycle and fatty acid metabolism. It acts as a co-factor for several enzymes and is involved in several reactions in intermediary metabolism. CoA contains a thiol group that enables it to take part in several biochemical reactions. Oxidized CoA may be used to study reduction systems (CoA disulfide reductase (CoADR) systems) that regenerate reduced CoA in vivo. Furthermore, oxidized CoA may be used to study the unique functions of this molecule in vivo.
General description:	Coenzyme A (CoA) is a ubiquitous cofactor present in all living organisms. It is synthesized by the enzymatic conjugation of cysteine, pantothenate (Vitamin B5), and adenosine triphosphate (ATP).
Packaging:	10 mg in poly bottle
Packaging:	5 mg in glass bottle

Symbol	GHS05
Signal word	Danger
Hazard statements	H315 - H318
Precautionary statements	P264 - P280 - P302 + P352 - P305 + P351 + P338 - P332 + P313 - P362 + P364
Hazard Codes	F
Risk Statements	11
Safety Statements	33-60
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥85%
Storage Temp.	−20°C
UNSPSC	41106305

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