BMFYS8ESa003

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 : BMFY Fatty acyl 脂肪酸 :  BMFYS straight chain 鎖状 (290 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	1264-52-4
KEGG	C01944
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYS8ESa003.mol

Octanoyl-CoA
Structural Information
Systematic Name	Octanoyl-CoA
Common Name	Octanoyl-CoA
Symbol
Formula	C29H50N7O17P3S
Exact Mass	893.2196
Average Mass	893.7315
SMILES	C(CCCCC(=O)SCCNC(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)CC
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

• Malonyl-CoA ⇔ this
• Hexanoyl-CoA ⇔ this
• this ⇔ CoA
• this ⇔ S- [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] ethyl] (E) -oct-2-enethioic acid
• this ⇔ Decanoyl-CoA

• EC1.3.3.6
• EC2.3.1.86