BMFYB4DAa004

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 :  BMFYB branched chain 分岐 (200 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	52050-21-2
KEGG	C00566
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYB4DAa004.mol

(3S) -Citryl-CoA
Structural Information
Systematic Name	(3S) -Citryl-CoA
Common Name	(3S) -Citryl-CoA
Symbol
Formula	C27H42N7O22P3S
Exact Mass	941.1316
Average Mass	941.6436
SMILES	C([C@H](C(NCCC(NCCSC(=O)C[C@](CC(O)=O)(C(O)=O)O)=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

• CoA ⇔ this
• this ⇔ S- [2- [3- [ [ (2R) -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] ethanethioate (2nd)
• this ⇔ 2-Oxo-butanedioic acid
• 2-Hydroxy-propane-1,2,3-tricarboxylic acid ⇔ this
• S- [2- [3- [ [ (2R) -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] ethanethioate ⇔ this

• EC2.8.3.10
• EC4.1.3.34
• EC6.2.1.18