BMFYS3HOa008

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	157786-88-4
KEGG	C05668
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYS3HOa008.mol

3-Hydroxypropionyl-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] 3-hydroxypropanethioic acid
Common Name	3-Hydroxypropionyl-CoA 3-Hydroxypropionyl coenzyme A 3-Hydroxypropanoyl-CoA 3-Hydroxypropanoyl coenzymeA 3-Hydroxy-propanoyl-CoA
Symbol
Formula	C24H40N7O18P3S
Exact Mass	839.1363
Average Mass	839.598
SMILES	n(c3N)cnc(c32)n(cn2)[C@@H]([C@@H]1O)O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(O)(=O)OCC([C@@H](O)C(NCCC(=O)NCCSC(CCO)=O)=O)(C)C)(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 ⇔ CoA
• this ⇔ 3-Hydroxy-propanoic acid
• this ⇔ Propenoyl-CoA

• EC3.1.2.4
• EC4.2.1.17