BMFYB5CAa008

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	1553-55-5
KEGG	C00356
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYB5CAa008.mol

(S) -3-Hydroxy-3-methylglutaryl-CoA
Structural Information
Systematic Name	(S) -3-Hydroxy-3-methyl-glutaryl-CoA
Common Name	(S) -3-Hydroxy-3-methylglutaryl-CoA Hydroxymethylglutaryl-CoA Hydroxymethylglutaroyl coenzyme A
Symbol
Formula	C27H44N7O20P3S
Exact Mass	911.1574
Average Mass	911.6607
SMILES	C([C@H](C(NCCC(NCCSC(C[C@@](C)(O)CC(O)=O)=O)=O)=O)O)(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)3)O[C@H]([C@@H]3O)n(c21)cnc(c(N)ncn2)1)(O)=O)(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Related Atomic Mappings, Enzymes, and Pathways

• CoA ⇔ this
• this ⇔ (E) -5- [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-methyl-5-oxopent-2-enoic acid
• this ⇔ 3-Hydroxy-3-methylglutaric acid
• this ⇔ 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] ethanethioate
• this ⇔ 3-Oxobutanoic acid
• this ⇔ 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-oxobutanethioate
• (R) -Mevalonic acid ⇔ this
• (S) -Mevalonic acid ⇔ this

• EC1.1.1.34
• EC1.1.1.88
• EC2.3.3.10
• EC3.1.2.5
• EC4.1.3.4
• EC4.2.1.18

• Ergosterol_biosynthesis
• Ergosterol_biosynthesis
• Mevalonate_pathway
• Mevalonate_pathway