BMCCPUAPf023

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Upper classes : BM Basic Metabolites : BMCC Conjugated cycle 共役環 : BMCCPU purine ring プリン環 : BMCCPUAP アデニン（ヌクレオチド） (43 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	85-61-0
KEGG	C00010
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMCCPUAPf023.mol

CoA

Structural Information
Systematic Name	CoA
Common Name	CoA Coenzyme A CoA-SH
Symbol
Formula	C21H36N7O16P3S
Exact Mass	767.1152
Average Mass	767.5354
SMILES	`P(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c3)c(n2)c(n3)c(N)nc2)[C@@H]1O)(O)=O)(OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)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-glutathione ⇔ this
this ⇔ Biotinyl-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] 2-methylpropanethioic acid
this ⇔ 4- [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] ethylsulfanyl] -2-methylidene-4-oxobutanoic acid
this ⇔ (3S) -Citryl-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] 2-methylbutanethioic acid
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] 3-methylbutanethioic acid
this ⇔ [4- [2- [3- [ [4- [ [ [5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -4-oxobut-2-enyl] -trimethylazanium
this ⇔ [4- [2- [3- [ [4- [ [ [5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethylsulfanyl] -2-hydroxy-4-oxobutyl] -trimethylazanium
this ⇔ L-Carnitinyl-CoA
this ⇔ (S) -3-Hydroxy-3-methyl-glutaryl-CoA
this ⇔ Oxalyl-CoA
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 ⇔ Propanoyl-CoA
this ⇔ (2S) -4- [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] ethylsulfanyl] -2-hydroxy-4-oxobutanoic 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] 3-oxobutanethioate
this ⇔ Butanoyl-CoA
this ⇔ Cinnamoyl-CoA
this ⇔ Anthranilyl-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] 2- (methylamino) benzenecarbothioic acid
this ⇔ 4-Chloro-benzoyl-CoA
this ⇔ 4-Coumaroyl-CoA
this ⇔ Caffeoyl-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) -3- (4-hydroxy-3-methoxyphenyl) prop-2-enethioic acid
this ⇔ Sinapoyl-CoA
Dephospho-CoA ⇔ this
(R) -3-Hydroxy-2-methyl-propanoyl-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] (2S) -3-hydroxy-2-methylpropanethioic acid ⇔ this
(S) -Methyl-malonyl-CoA ⇔ this
Formyl-CoA ⇔ this
Malonyl-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] 3-hydroxypropanethioic acid ⇔ this
Succinyl-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] (3R) -3-hydroxybutanethioic acid ⇔ this
Glutaryl-CoA ⇔ this
Hexanoyl-CoA ⇔ this
Pimeloyl-CoA ⇔ this
Octanoyl-CoA ⇔ this
Decanoyl-CoA ⇔ this
Benzoyl-CoA ⇔ this
Phenyl-acetyl-CoA ⇔ this
2-Succinyl-benzoyl-CoA ⇔ this
4-Hydroxy-benzoyl-CoA ⇔ 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] 2- (4-hydroxyphenyl) ethanethioic acid ⇔ this

Pantothenate_and_coenzyme_A_biosynthesis

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