CHEBI:15525 - palmitoyl-CoA

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ChEBI Name palmitoyl-CoA
ChEBI ID CHEBI:15525
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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Formula C37H66N7O17P3S
Net Charge 0
Average Mass 1005.94420
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 CCCCCCCCCCCCCCCC(=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
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 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
27 January 2016