Naphthyl-2-methyl-succinyl-CoA

4-[2-[3-[[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]ethylsulfanyl]-3-(naphthalen-2-ylmethyl)-4-oxobutanoic acid

Also Known As: Naphthyl-2-methyl-succinyl-CoA|2-(2-Naphthylmethyl)succinyl-CoA|J2.787.884I|Naphthyl-2-methyl-succinyl-CoA; (Acyl-CoA); [M+H]+;|4-[2-[3-[[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]ethylsulfanyl]-3-(naphthalen-2-ylmethyl)-4-oxobutanoic acid|3-({[2-(3-{3-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido}propanamido)ethyl]sulfanyl}carbonyl)-4-(naphthalen-2-yl)butanoic acid|Adenosine 3 -phosphoric acid 5 -[diphosphoric acid P2-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-[[3-carboxy-2-(2-naphthylmethyl)propanoyl]thio]ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester

Molecular Formula	C36H48N7O19P3S
Molecular Weight	1007.19385 g/mol
LogP	-3.0
Topological Polar Surface Area	426.0 Ų
Hydrogen Bond Donors	10
Hydrogen Bond Acceptors	24
Rotatable Bonds	25
Exact Mass	1007.19385
Monoisotopic Mass	1007.19385
Heavy Atoms	66
Complexity	1840.0

Chemical Identifiers

CAS Number	830357-87-4
SMILES	CC(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)C(C(=O)NCCC(=O)NCCSC(=O)C(CC4=CC5=CC=CC=C5C=C4)CC(=O)O)O
InChIKey	BLFNYMNSRZKVBB-OUXQTKLWSA-N