Ketone Body Metabolism

Source	ID	Pathway
PathWhiz	PW002484

Pathway Metabolites

YMDB ID	Name CAS Number	IUPAC Name	Formula Weight	Structure
YMDB00045	Coenzyme A 85-61-0	{[(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-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C21H36N7O16P3S 767.534
YMDB00312	Acetyl-CoA 72-89-9	{[(2R,3S,4R,5R)-2-({[({[(3R)-3-[(2-{[2-(acetylsulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid	C23H38N7O17P3S 809.571
YMDB00529	acetoacetyl-CoA 1420-36-6	{[(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-oxobutanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid	C25H40N7O18P3S 851.607
YMDB00708	3-Hydroxy-3-methylglutaryl-CoA 1553-55-5	5-[(2-{3-[(2R)-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]-3-hydroxy-3-methyl-5-oxopentanoic acid	C27H44N7O20P3S 911.659
YMDB00872	(S)-3-hydroxy-3-methylglutaryl-CoA 1553-55-5	(3S)-5-[(2-{3-[(2R)-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]-3-hydroxy-3-methyl-5-oxopentanoic acid	C27H44N7O20P3S 911.659
YMDB00890	water 7732-18-5	water	H2O 18.0153
YMDB01701	Geranyl acetone 67-64-1	(5E)-6,10-dimethylundeca-5,9-dien-2-one	C13H22O 194.3132

Pathway Proteins