BMFYS6ESa004

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	10018-93-6
KEGG	C05271
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYS6ESa004.mol

trans-Hex-2-enoyl-CoA
Structural Information
Systematic Name	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) -hex-2-enethioic acid
Common Name	trans-Hex-2-enoyl-CoA (2E) -Hexenoyl-CoA
Symbol
Formula	C27H44N7O17P3S
Exact Mass	863.1727
Average Mass	863.6625
SMILES	C([C@H](C(NCCC(NCCSC(=O)C=CCCC)=O)=O)O)(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)3)O[C@H]([C@@H]3O)n(c21)cnc(c(N)ncn2)1)(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

• Hexanoyl-CoA ⇔ this

• EC1.3.3.6