BMMCBZ3Sa008

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 : BMMC mono- or assembled cycle 単、複合環 : BMMCBZ benzene ring ベンゼン環 :  BMMCBZ3S with 3 substitutions (61 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	150693-18-8
KEGG	C06671
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMMCBZ3Sa008.mol

2,4-Dichlorobenzoyl-CoA
Structural Information
Systematic Name	3- [(3-Ethoxybenzoyl) amino] -N- (oxolan-2-ylmethyl) benzamide
Common Name	2,4-Dichlorobenzoyl-CoA 2,4-Dichloro-benzoyl-CoA
Symbol
Formula	C28H38Cl2N7O17P3S
Exact Mass	939.0634
Average Mass	940.5309
SMILES	c(c1Cl)cc(C(SCCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)2)O[C@@H](n(c34)cnc3c(ncn4)N)[C@@H]2O)(O)=O)(O)=O)O)=O)=O)c(Cl)c1
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

• 4-Chloro-benzoyl-CoA ⇔ this

• EC1.3.1.63