BMFYS5CAa016

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	?
KEGG	C02411
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYS5CAa016.mol

Glutaconyl-1-CoA
Structural Information
Systematic Name	Glutaconyl-1-CoA
Common Name	Glutaconyl-1-CoA 4-Carboxybut-2-enoyl-CoA
Symbol
Formula	C26H40N7O19P3S
Exact Mass	879.1312
Average Mass	879.6188
SMILES	C([C@H](C(NCCC(NCCSC(C=CCC(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

• 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] -4-hydroxy-5-oxopentanoic acid ⇔ this