BMMCACCHa008

Latest revision as of 15:12, 17 June 2010

Upper classes : BM Basic Metabolites : BMMC mono- or assembled cycle 単、複合環 :  BMMCAC aliphatic cycle 脂肪族環 (47 pages) :  BMMCACCH cyclohexane シクロヘキサン (22 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	156007-01-1
KEGG	C09813
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMMCACCHa008.mol

2-Ketocyclohexane-1-carboxyl-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] 2-oxocyclohexane-1-carbothioic acid
Common Name	2-Ketocyclohexane-1-carboxyl-CoA 2-Oxocyclohexane-1-carbonyl-CoA 2-Oxo-cyclohexane-1-carbonyl-CoA
Symbol
Formula	C28H44N7O18P3S
Exact Mass	891.1676
Average Mass	891.6726
SMILES	O=C(SCCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)2)O[C@@H](n(c34)cnc3c(ncn4)N)[C@@H]2O)(O)=O)(O)=O)O)=O)C(C1)C(=O)CCC1
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