3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) 3546-17-6 CHEBI:74397 heptadecanoyl-CoA heptadecanoyl-coenzyme A CAS 3546-17-6

Purity 97%+In StockPharmaceutical Standards
CAS No.3546-17-6
Molecular FormulaC38H76N7O17P3S
Molecular Weight1028.03 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) 3546-17-6 CHEBI:74397 heptadecanoyl-CoA heptadecanoyl-coenzyme A CAS 3546-17-6 chemical structure

Description

As a certified reference material (CRM), 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) 3546-17-6 CHEBI:74397 heptadecanoyl-CoA heptadecanoyl-coenzyme A meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) 3546-17-6 CHEBI:74397 heptadecanoyl-CoA heptadecanoyl-coenzyme A (CAS 3546-17-6), molecular formula C38H76N7O17P3S and molecular weight 1028.03 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C38H76N7O17P3S, 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(heptadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) 3546-17-6 CHEBI:74397 heptadecanoyl-CoA heptadecanoyl-coenzyme A contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 1028.03 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

Physical & Chemical Properties

Molecular FormulaC38H76N7O17P3S
Molecular Weight1028.03 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)4.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958
Nitrogen Atoms7
Sulfur Atoms1

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