BMFYB3CAa007

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	?
KEGG	C06000
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYB3CAa007.mol

(S) -3-Hydroxyisobutyryl-CoA
Structural Information
Systematic Name	(S) -3-Hydroxy-2-methyl-propanoyl-CoA
Common Name	(S) -3-Hydroxyisobutyryl-CoA
Symbol
Formula	C25H42N7O18P3S
Exact Mass	853.1519
Average Mass	853.6246
SMILES	n(c3N)cnc(c32)n(cn2)[C@@H]([C@@H]1O)O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(O)(=O)OCC([C@@H](O)C(NCCC(NCCSC([C@H](CO)C)=O)=O)=O)(C)C)(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

• this ⇔ CoA
• this ⇔ (2S) -3-Hydroxy-2-methylpropanoic acid
• this ⇔ 2-Methylprop-2-enoyl-CoA

• EC3.1.2.4
• EC4.2.1.17