BMCCCC--a001

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	111830-76-3
KEGG	C02611
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCCC--a001.mol

(E,E) -Piperoyl-CoA
Structural Information
Systematic Name	(E,E) -Piperoyl-CoA
Common Name	(E,E) -Piperoyl-CoA
Symbol
Formula	C33H44N7O19P3S
Exact Mass	967.1625
Average Mass	967.7255
SMILES	c(O5)(c4OC5)cc(cc4)C=CC=CC(SCCNC(=O)CCNC([C@@H](C(C)(C)COP(OP(O)(=O)OC[C@@H](O1)[C@@H](OP(O)(O)=O)[C@H]([C@@H]1n(c23)cnc2c(ncn3)N)O)(O)=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