3-Oxopalmitoyl-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] 3-oxohexadecanethioate

Also Known As: 3-Oxopalmitoyl-CoA|3-ketopalmitoyl-CoA|3-Oxohexadecanoyl-CoA|3-Oxopalmitoyl CoA|beta-Ketopalmitoyl-CoA|3-Ketohexadecanoyl CoA|beta-Ketohexadecanoyl-coenzyme A|3-?Ketopalmitoyl-?CoA|Coenzyme A, S-(3-oxohexadecanoate)|S-(3-Oxopalmitoyl)coenzyme A|Coenzyme A, beta-ketohexadecanoyl-|3,3-dichloro-5-ethyl-dihydro-furan-2-one|3-oxohexadecanoic acid coenzyme A thioester|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] 3-oxohexadecanethioate|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid|Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-2,2-dimethyl-4-[[3-[[2-(3-oxopalmitoylthio)ethyl]amino]-3-oxopropyl]amino]-4-oxobutyl]] ester|Adenosine 3 -phosphoric acid 5 -[diphosphoric acid beta-[(R)-3-hydroxy-4-[[3-[[2-(3-oxohexadecanoylthio)ethyl]amino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl]] ester|S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 3-oxohexadecanethioate|S-{(9R)-1-[(2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 3-oxohexadecanethioate|s-{(9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3|E5,5|E5-diphosphaheptadecan-17-yl} 3-oxohexadecanethioate(non-preferred name)

Molecular Formula	C37H64N7O18P3S
Molecular Weight	1019.32416 g/mol
LogP	0.5
Topological Polar Surface Area	406.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	23
Rotatable Bonds	34
Exact Mass	1019.32416
Monoisotopic Mass	1019.32416
Heavy Atoms	66
Complexity	1700.0

Chemical Identifiers

CAS Number	39251-01-9
SMILES	CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
InChIKey	NQMPLXPCRJOSHL-BBECNAHFSA-N