CHEBI:15525 - palmitoyl-CoA

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ChEBI Name palmitoyl-CoA
ChEBI ID CHEBI:15525
Definition A long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14732, CHEBI:7898, CHEBI:14397, CHEBI:24543
Supplier Information
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Formulae C37H66N7O17P3S
C37H66N7O17P3S
Net Charge 0
Average Mass 1005.945
Monoisotopic Mass 1005.345
InChI InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1
InChIKey MNBKLUUYKPBKDU-BBECNAHFSA-N
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CCCCCCCCCCCCCCC)=O)=O)=O)O)C)(=O)O)(=O)O)[C@H]([C@H]1O)OP(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing palmitoyl-CoA (CHEBI:15525) has functional parent coenzyme A (CHEBI:15346)
palmitoyl-CoA (CHEBI:15525) has functional parent hexadecanoate (CHEBI:7896)
palmitoyl-CoA (CHEBI:15525) has functional parent hexadecanoic acid (CHEBI:15756)
palmitoyl-CoA (CHEBI:15525) has role Escherichia coli metabolite (CHEBI:76971)
palmitoyl-CoA (CHEBI:15525) has role mouse metabolite (CHEBI:75771)
palmitoyl-CoA (CHEBI:15525) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
palmitoyl-CoA (CHEBI:15525) is a 3-substituted propionyl-CoA (CHEBI:65122)
palmitoyl-CoA (CHEBI:15525) is a long-chain fatty acyl-CoA (CHEBI:33184)
palmitoyl-CoA (CHEBI:15525) is a palmitoyl bioconjugate (CHEBI:76194)
palmitoyl-CoA (CHEBI:15525) is conjugate acid of palmitoyl-CoA(4−) (CHEBI:57379)
Incoming (S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has functional parent palmitoyl-CoA (CHEBI:15525)
3-oxopalmitoyl-CoA (CHEBI:15491) has functional parent palmitoyl-CoA (CHEBI:15525)
palmitoyl-CoA(4−) (CHEBI:57379) is conjugate base of palmitoyl-CoA (CHEBI:15525)
IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Synonyms Sources
Coenzyme A, S-hexadecanoate ChemIDplus
Hexadecanoyl-CoA KEGG COMPOUND
Palmitoyl coenzyme A ChemIDplus
Palmitoyl-CoA KEGG COMPOUND
S-Palmitoylcoenzyme A ChemIDplus
Database Links Databases
C00007462 KNApSAcK
C00154 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1763-10-6 CAS Registry Number ChemIDplus
78534 Beilstein Registry Number Beilstein
Last Modified
20 December 2016