BMMCBZ1Sa041

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	7532-39-0
KEGG	C00582
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMMCBZ1Sa041.mol

Structural Information
Systematic Name	Phenyl-acetyl-CoA
Common Name
Symbol
Formula	C29H42N7O17P3S
Exact Mass	885.157
Average Mass	885.668
SMILES	C(C([C@H](C(=O)NCCC(NCCSC(Cc(c4)cccc4)=O)=O)O)(C)C)OP(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
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 ⇔ 2- [ [2- (4-Hydroxyphenyl) acetyl] amino] acetic acid
• this ⇔ N-Phenyl-acetyl-L-glutamine
• this ⇔ CoA
• 2-Phenylacetic acid ⇔ this