CHEBI:84996 - 3-oxopropanoyl-CoA(4−)

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ChEBI Name 3-oxopropanoyl-CoA(4−) ChEBI ID CHEBI:84996 ChEBI ASCII Name 3-oxopropanoyl-CoA(4-) Definition An acyl-CoA(4−) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxopropanoyl-CoA; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C24H34N7O18P3S Net Charge -4 Average Mass 833.55100 Monoisotopic Mass 833.09158 InChI InChI=1S/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11-13,17-19,23,35-36H,3-6,8-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/p-4/t13-,17-,18-,19+,23-/m1/s1 InChIKey NMEYBPUHJHMRHU-IEXPHMLFSA-J 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)CC=O ChEBI Ontology Outgoing 3-oxopropanoyl-CoA(4−) (CHEBI:84996) is a acyl-CoA(4−) (CHEBI:58342) 3-oxopropanoyl-CoA(4−) (CHEBI:84996) is conjugate base of 3-oxopropanoyl-CoA (CHEBI:28673) Incoming 3-oxopropanoyl-CoA (CHEBI:28673) is conjugate acid of 3-oxopropanoyl-CoA(4−) (CHEBI:84996) Synonyms Sources 3-oxopropanoyl-CoA UniProt 3-oxopropanoyl-coenzyme A(4−) ChEBI Manual Xref Database CPD-17259 MetaCyc View more database links Citation Type Source 23704947 PubMed citation SUBMITTER Last Modified 22 April 2015