CAS 3633-59-8: Dephospho-CoA

Description: Dephospho-CoA, also known as dephospho coenzyme A, is a derivative of coenzyme A (CoA) that lacks the phosphate group at the 3'-position of its adenosine moiety. It plays a crucial role in various biochemical pathways, particularly in the metabolism of fatty acids and the synthesis of acetyl-CoA. Dephospho-CoA is involved in the transfer of acyl groups and is essential for the functioning of several enzymes, including acyltransferases. The compound is characterized by its ability to participate in acylation reactions, facilitating the conversion of fatty acids into their active forms for metabolic processes. Its structure includes a pantothenic acid moiety, a beta-mercaptoethylamine group, and an adenosine component, which together contribute to its biochemical functionality. Dephospho-CoA is typically found in biological systems and can be synthesized enzymatically from CoA. Its CAS number, 3633-59-8, is used for identification in chemical databases and regulatory contexts. Overall, dephospho-CoA is integral to cellular metabolism and energy production.

Formula: C₂₁H₃₅N₇O₁₃P₂S

InChI: InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14-,15-,16+,20-/m1/s1

InChI key: InChIKey=KDTSHFARGAKYJN-IBOSZNHHSA-N

SMILES: O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O

Synonyms:

• 3′-Dephospho-CoA
• 3′-Dephosphocoenzyme A
• 3′-O-Dephosphonocoenzyme A
• Adenosine 5′-(trihydrogen diphosphate), mono[3-hydroxy-4-[[3-[(2-mercaptoethyl)amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] ester, (R)-
• Adenosine 5′-(trihydrogen pyrophosphate), 5′→4-ester with 2,4-dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethylbutyramide
• Adenosine 5′-diphosphate, 4-ester with 2,4-dihydroxy-N-[2-(2-mercaptoethylcarbamoyl)ethyl]-3,3-dimethylbutyramide
• Adenosine 5′-pyrophosphate, 5′→4-ester with 2,4-dihydroxy-N-[2-[(2-mercaptoethyl)carbamoyl]ethyl]-3,3-dimethylbutyramide
• Coenzyme A, 3'-O-dephosphono-
• Dephospho coa
• Dephosphocoenzyme A
• [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)
• [5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl 3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name)

3'-DEPHOSPHOCOENZYME A

CAS: 3633-59-8

• Formula: C₂₁H₃₅N₇O₁₃P₂S
• Purity: 90%
• Molecular weight: 687.5542

Dephospho-CoA

CAS: 3633-59-8

Dephospho-CoA (dpCoA) is an endogenous compound derived from Escherichia coli and Lactobacillus plantarum.

• Formula: C₂₁H₃₅N₇O₁₃P₂S
• Color and Shape: Solid
• Molecular weight: 687.55

3''-Dephosphocoenzyme A

CAS: 3633-59-8

• Molecular weight: 687.55