BMMCBZ1Sa038

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 :  BMMCBZ1S 0-1 substitution (53 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	16310-18-2
KEGG	C02577
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMMCBZ1Sa038.mol

Phenoxyacetyl-CoA
Structural Information
Systematic Name	Phenoxy-acetyl-CoA
Common Name	Phenoxyacetyl-CoA Phenoxy-acetyl-CoA
Symbol
Formula	C29H42N7O18P3S
Exact Mass	901.1519
Average Mass	901.6674
SMILES	S(C(COc(c4)cccc4)=O)CCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(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