EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:15525 - palmitoyl-CoA
| Formula | C37H66N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1005.956 |
| Monoisotopic Mass | 1005.34487 |
| 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Escherichia coli (ncbitaxon:562) | - | PubMed (21988831) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| palmitoyl-CoA (CHEBI:15525) has functional parent coenzyme A (CHEBI:15346) |
| 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 a saturated fatty acyl-CoA (CHEBI:231546) |
| palmitoyl-CoA (CHEBI:15525) is conjugate acid of palmitoyl-CoA(4−) (CHEBI:57379) |
| Incoming Relation(s) |
| (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 | Source |
|---|---|
| Palmitoyl-CoA | KEGG COMPOUND |
| Hexadecanoyl-CoA | KEGG COMPOUND |
| Palmitoyl coenzyme A | ChemIDplus |
| Coenzyme A, S-hexadecanoate | ChemIDplus |
| S-Palmitoylcoenzyme A | ChemIDplus |
| Citations |
|---|