Small Molecule HMG-CoA

Ariadne Ontology	Biofluids assayable substances

Pathway	Branched chain amino acids metabolism
	Biosynthesis of cholesterol
	Mevalonate pathway
	Ketonogenesis
	cholesterol biosynthetic pathway
	ketone bodies metabolic pathway
	ketone bodies metabolic pathway
	ketone bodies metabolic pathway
	cholesterol biosynthetic pathway

Group	Biofluids assayable substances

Source	ChemIDplus

MedScan ID	1254386

Alias	3-hydroxy-3-methylglutaryl-coenzyme A, (S)-isomer
	EINECS 216-301-7
	3-hydroxy-3-methylglutaryl-coenzyme A, mono(3-oxobutanoate)
	3-Hydroxy-3-methylglutaryl-coenzyme A
	3-hydroxy-3-methyl-glutaryl-CoA
	hydroxy-3-methylglutaryl CoA
	(s)-3-hydroxy-3-methylglutaryl-CoA
	HMG-CoA
	hydroxymethylglutaryl-CoA
	[Me-3H]hydroxymethylglutaryl-CoA
	hydroxy-3-methyl-glutaryl CoA
	S-(Hydrogen 3-hydroxy-3-methylpentanedioate
	S-(Hydrogen 3-hydroxy-3-methylpentanedioic acid
	hydroxymethylglutaroyl coenzyme A
	hydroxy-3-methylglutaryl-coenzyme A
	hydroxy-3-methyl-glutaryl-coenzyme A
	S-(Hydrogen 3-hydroxy-3-methylpentanedioate) coenzyme A
	S-(Hydrogen 3-hydroxy-3-methylglutaryl)coenzyme A
	3-hydroxy-3-methylglutaryl-CoA
	4-[[[5-[(6-amino-9H-purin-9-yl)]-4-hydroxy-3-phosphonatooxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphinoyl]oxy-oxido-phosphinoyl]oxy-N-[2-[2-(4-carboxylato-3-hydroxy-3-methyl-butanoyl)sulfanylethylcarbamoyl]ethyl]-2-hydroxy-3,3-dimethyl-butanamide
	hydroxy-3-methylglutaryl coenzyme A
	hydroxy-3-methyl-glutaryl coenzyme A
	3-Hydroxy-3-methylglutaryl coenzyme A
	coenzyme A, 3-hydroxy-3-methylglutaryl-
	1553-55-5

KEGG ID	C00356

IUPAC Name	5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-adenin-9-yl-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylthio]-3-hydroxy-5-keto-3-methyl-valeric acid

InChIKey	CABVTRNMFUVUDM-SJBCKIPMSA-N

Rotatable Bond Count	24

ChEBI ID	15467

CAS ID	1553-55-5

Molecular Weight	911.659443

PubChem SID	668263

PubChem CID	91506

XLogP	-6.600000

Molecular Formula	C27H44N7O20P3S

ChemIDplus ID	001553555

LinkUrl	http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91506