CAS 3633-59-8: Dephospho-CoA

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