BMFYB5CAa010

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	6247-73-0
KEGG	C03231
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYB5CAa010.mol

3-Methylglutaconyl-CoA
Structural Information
Systematic Name	(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
Common Name	3-Methylglutaconyl-CoA trans-3-Methylglutaconyl-CoA 3-Methyl-glutaconyl-CoA
Symbol
Formula	C27H42N7O19P3S
Exact Mass	893.1469
Average Mass	893.6454
SMILES	C([C@H](C(NCCC(=O)NCCSC(=O)C=C(C)CC(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

• 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] 3-methylbut-2-enethioic acid ⇔ this
• (S) -3-Hydroxy-3-methyl-glutaryl-CoA ⇔ this
• CO2 ⇔ this

• EC4.2.1.18
• EC6.4.1.4