(2S)-2-methyltetradecanoyl-CoA
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-methyltetradecanethioate
Molecular Identity
(2S)-2-methyltetradecanoyl-CoA
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-methyltetradecanethioate
PubChem CID: 15991545
(2S)-2-methyltetradecanoyl-CoA is a (2S)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S)-2-methyltetradecanoic acid. It is a (2S)-2-methylacyl-CoA and a long-chain fatty acyl-CoA. It is a conjugate acid of a (2S)-2-methyltetradecanoyl-CoA(4-).
2D Structure
Properties
C36H64N7O17P3S
Molecular Formula
991.90
Molecular Weight
g/mol
991.3292
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
389
TPSA
May have limited oral absorption
9
H-Bond Donors
22
H-Bond Acceptors
1620
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(12)
(2S)-2-methyltetradecanoyl-CoA(S)-2-Methylmyristoyl-Coenzyme A(2S)-2-methylmyristoyl-CoACHEBI:44089(2S)-2-methylmyristoyl-coenzyme AMRS; (Acyl-CoA); [M+H]+;(2S)-2-methyltetradecanoyl-coenzyme AMRSQ271205413'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methyltetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-methyltetradecanethioateS-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2S)-2-methyltetradecanethioate (non-preferred name)
Data from PubChem (NCBI)
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Drug Network
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