CHEBI:15536 - pentanoyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways
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
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Formula C26H44N7O17P3S
Net Charge 0
Average Mass 851.65182
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 )
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(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
Database Links Databases
C00888 KEGG COMPOUND
HMDB13037 HMDB
View more database links
Registry Numbers Types Sources
4752-33-4 CAS Registry Number ChemIDplus
78329 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11879205 PubMed citation CiteXplore
16133321 PubMed citation CiteXplore
19860832 PubMed citation CiteXplore
3597403 PubMed citation CiteXplore
Last Modified
04 August 2014