CHEBI:15536 - pentanoyl-CoA

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ChEBI Name pentanoyl-CoA ChEBI ID CHEBI:15536 Definition A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentanoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:7981, CHEBI:14752, CHEBI:25893 Supplier Information ZINC000008551265 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H44N7O17P3S Net Charge 0 Average Mass 851.65182 Monoisotopic Mass 851.17273 InChI InChI=1S/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h13-15,19-21,25,36-37H,4-12H2,1-3H3,(H,28,34)(H,29,38)(H,42,43)(H,44,45)(H2,27,30,31)(H2,39,40,41)/t15-,19-,20-,21+,25-/m1/s1 InChIKey RXUATCUKICAIOA-ZMHDXICWSA-N SMILES CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 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 pentanoyl-CoA (CHEBI:15536) has functional parent coenzyme A (CHEBI:15346) pentanoyl-CoA (CHEBI:15536) has functional parent valeric acid (CHEBI:17418) pentanoyl-CoA (CHEBI:15536) is a short-chain fatty acyl-CoA (CHEBI:61905) pentanoyl-CoA (CHEBI:15536) is conjugate acid of pentanoyl-CoA(4−) (CHEBI:57389) Incoming 5-hydroxypentanoyl-CoA (CHEBI:15501) has functional parent pentanoyl-CoA (CHEBI:15536) pentanoyl-CoA(4−) (CHEBI:57389) is conjugate base of pentanoyl-CoA (CHEBI:15536) IUPAC Name 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) Synonyms Sources 5:0-CoA ChEBI C5:0-CoA ChEBI coenzyme A S-pentanoate ChemIDplus Pentanoyl-CoA KEGG COMPOUND pentanoyl-coenzyme A ChEBI S-valeryl-CoA ChEBI S-Valeryl-coenzym-A ChEBI S-valeryl-coenzyme-A ChEBI valeryl-CoA ChEBI valeryl-coenzyme A ChEBI Valeryl-coenzyme A KEGG COMPOUND Manual Xrefs Databases C00888 KEGG COMPOUND HMDB0013037 HMDB View more database links Registry Numbers Types Sources 4752-33-4 CAS Registry Number ChemIDplus 78329 Reaxys Registry Number Reaxys Citations Last Modified 04 August 2014