CHEBI:79221 - 3-sulfinopropionyl-CoA

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ChEBI Name 3-sulfinopropionyl-CoA ChEBI ID CHEBI:79221 Definition An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-sulfinopropionic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C24H40N7O19P3S2 Net Charge 0 Average Mass 887.66100 Monoisotopic Mass 887.10333 InChI InChI=1S/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1 InChIKey NQBUSKKVOLGOGY-IEXPHMLFSA-N SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCS(O)=O Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-sulfinopropionyl-CoA (CHEBI:79221) has functional parent 3-sulfinopropionic acid (CHEBI:79222) 3-sulfinopropionyl-CoA (CHEBI:79221) has role bacterial metabolite (CHEBI:76969) 3-sulfinopropionyl-CoA (CHEBI:79221) is a acyl-CoA (CHEBI:17984) 3-sulfinopropionyl-CoA (CHEBI:79221) is conjugate acid of 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) Incoming 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) is conjugate base of 3-sulfinopropionyl-CoA (CHEBI:79221) IUPAC Name 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3-sulfinopropanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) Synonyms Sources 3-sulfinopropanoyl-CoA ChEBI 3-sulfinopropanoyl-coenzyme A ChEBI 3-sulfinopropionyl-coenzyme A ChEBI Citations Types Sources 19001372 PubMed citation Europe PMC 21515777 PubMed citation Europe PMC Last Modified 16 July 2014