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CHEBI:15536 - pentanoyl-CoA

ChEBI IDCHEBI:15536
ChEBI Namepentanoyl-CoA
Stars
DefinitionA 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.
Secondary ChEBI IDsCHEBI:7981, CHEBI:14752, CHEBI:25893
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H44N7O17P3S
Net Charge0
Average Mass851.659
Monoisotopic Mass851.17272
SMILESCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=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
InChIKeyRXUATCUKICAIOA-ZMHDXICWSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Pentanoyl-CoAKEGG COMPOUND
valeryl-CoAChEBI
pentanoyl-coenzyme AChEBI
valeryl-coenzyme AChEBI
S-Valeryl-coenzym-AChEBI
S-valeryl-coenzyme-AChEBI
Manual XrefsDatabases
C00888KEGG COMPOUND
HMDB0013037HMDB
Registry NumbersSources
Reaxys:78329Reaxys
CAS:4752-33-4ChemIDplus
CAS:4752-33-4KEGG COMPOUND
Citations