BMMCBZ1Sa023

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	?
KEGG	C09817
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMMCBZ1Sa023.mol

Benzylsuccinyl-CoA
Structural Information
Systematic Name	Benzyl-succinyl-CoA
Common Name	Benzylsuccinyl-CoA (R) -2-Benzylsuccinyl-CoA
Symbol
Formula	C32H46N7O19P3S
Exact Mass	957.1782
Average Mass	957.7307
SMILES	C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]([C@@H]2n(c34)cnc3c(ncn4)N)O)(O)=O)C(C)(C)[C@H](C(=O)NCCC(NCCSC(=O)C(CC(O)=O)Cc(c1)cccc1)=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 ⇔ (E) -3- [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] ethylsulfanylcarbonyl] -4-phenylbut-3-enoic acid