BMFYB3CAa010

Basic Metabolism Top (代謝トップ)

Molecule Index (化合物索引)

EC classes ( EC分類)

Input New Data (新規入力)

Upper classes : BM Basic Metabolites : BMFY Fatty acyl 脂肪酸 :  BMFYB branched chain 分岐 (200 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	15621-60-0
KEGG	C00630
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYB3CAa010.mol

2-Methylpropanoyl-CoA
Structural Information
Systematic Name	S- [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] ethyl] 2-methylpropanethioic acid
Common Name	2-Methylpropanoyl-CoA 2-Methylpropionyl-CoA Isobutyryl-CoA 2-Methyl-propanoyl-CoA
Symbol
Formula	C25H42N7O17P3S
Exact Mass	837.157
Average Mass	837.6252
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(=O)C(C)C)=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

• CoA ⇔ this
• this ⇔ 2-Methylprop-2-enoyl-CoA
• this ⇔ S- (8-Amino-8-oxo-3-sulfanyloctyl) 2-methylpropanethioic acid
• 3-Methyl-2-oxo-butanoic acid ⇔ this

• EC1.2.1.25
• EC1.3.99.12
• EC1.3.99.3