CHEBI:78349 - 3-sulfinopropionyl-CoA(5−)

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ChEBI Name 3-sulfinopropionyl-CoA(5−) ChEBI ID CHEBI:78349 ChEBI ASCII Name 3-sulfinopropionyl-CoA(5-) Definition An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and sulfinic acid functions of 3-sulfinopropionyl-CoA. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C24H35N7O19P3S2 Net Charge -5 Average Mass 882.62400 Monoisotopic Mass 882.06694 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)/p-5/t13-,17-,18-,19+,23-/m1/s1 InChIKey NQBUSKKVOLGOGY-IEXPHMLFSA-I 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 ChEBI Ontology Outgoing 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) is a acyl-CoA oxoanion (CHEBI:58946) 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) is conjugate base of 3-sulfinopropionyl-CoA (CHEBI:79221) Incoming 3-sulfinopropionyl-CoA (CHEBI:79221) is conjugate acid of 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) Synonyms Sources 3-sulfinopropanoyl-CoA UniProt 3-sulfinopropanoyl-CoA(5−) ChEBI 3-sulfinopropanoyl-coenzyme A(5−) ChEBI 3-sulfinopropionyl-coenzyme A(5−) ChEBI Manual Xref Database CPD-16582 MetaCyc View more database links Citation Type Source 23354747 PubMed citation SUBMITTER Last Modified 16 July 2014