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CHEBI:233091 - n-propionyl-CoA lithium salt

ChEBI IDCHEBI:233091
ChEBI Namen-propionyl-CoA lithium salt
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FormulaC24H39N7O17P3S.Li
Net Charge0
Average Mass829.538
Monoisotopic Mass829.14960
SMILES[H]C(O)(/C(O)=N/CC/C([O-])=N/CCSC(=O)CC)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@]1([H])O[C@@]([H])(n2cnc3c(N)ncnc32)[C@]([H])(O)[C@]1([H])OP(=O)(O)O.[Li+]
InChIInChI=1S/C24H40N7O17P3S.Li/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31;/h11-13,17-19,23,34-35H,4-10H2,1-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39);/q;+1/p-1/t13-,17-,18-,19?,23-;/m1./s1
InChIKeyNHDDMVHJPMKFOA-UIXOMBANSA-M
ChEBI Ontology
Outgoing Relation(s)
n-propionyl-CoA lithium salt (CHEBI:233091) has functional parent coenzyme A (CHEBI:15346)
n-propionyl-CoA lithium salt (CHEBI:233091) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
lithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-propanoylsulfanylethylamino)propyl]amino]butoxy]phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate
Registry NumbersSources
CAS:108321-21-7SUBMITTER