CHEBI:15507 - β-alanyl-CoA

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ChEBI Name β-alanyl-CoA ChEBI ID CHEBI:15507 ChEBI ASCII Name beta-alanyl-CoA Definition An acyl-CoA that is the S-(β-alanyl) derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:12391, CHEBI:10346, CHEBI:22825 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 C24H41N8O17P3S Net Charge 0 Average Mass 838.61334 Monoisotopic Mass 838.15232 InChI InChI=1S/C24H41N8O17P3S/c1-24(2,19(36)22(37)28-6-4-14(33)27-7-8-53-15(34)3-5-25)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)32-12-31-16-20(26)29-11-30-21(16)32/h11-13,17-19,23,35-36H,3-10,25H2,1-2H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1 InChIKey RUWSXZUPLIXLGD-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)CCN Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) View more via ChEBI Ontology ChEBI Ontology Outgoing β-alanyl-CoA (CHEBI:15507) has functional parent β-alanine (CHEBI:16958) β-alanyl-CoA (CHEBI:15507) is a acyl-CoA (CHEBI:17984) β-alanyl-CoA (CHEBI:15507) is conjugate acid of β-alanyl-CoA(3−) (CHEBI:57362) Incoming β-alanyl-CoA(3−) (CHEBI:57362) is conjugate base of β-alanyl-CoA (CHEBI:15507) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources 3-aminopropionyl-CoA ChEBI 3-aminopropionyl-coenzyme A ChEBI beta-alanyl-CoA ChEBI beta-Alanyl-CoA KEGG COMPOUND β-alanyl-coenzyme A ChEBI β-aminopropionyl-CoA ChEBI β-aminopropionyl-coenzyme A ChEBI S-β-Ala-CoA ChEBI S-β-alanyl-CoA ChEBI S-β-Alanyl-coenzym-A ChEBI S-β-alanyl-coenzyme-A ChEBI Manual Xrefs Databases C02335 KEGG COMPOUND HMDB0006805 HMDB View more database links Registry Number Type Source 78295 Reaxys Registry Number Reaxys Citations Types Sources 13064 PubMed citation Europe PMC 15670161 PubMed citation Europe PMC 6788773 PubMed citation Europe PMC Last Modified 04 August 2014

General Comment 2011-05-17 Involved in the β-alanine and propanoate metabolism systems, it is reversibly produced from acrylyl-CoA by enzyme β-alanyl-CoA ammonia-lyase [4.3.1.6]. --HMDB.