EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:15513 - acryloyl-CoA
| Formula | C24H38N7O17P3S |
| Net Charge | 0 |
| Average Mass | 821.589 |
| Monoisotopic Mass | 821.12577 |
| SMILES | C=CC(=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/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1 |
| InChIKey | POODSGUMUCVRTR-IEXPHMLFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| 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 Role: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| acryloyl-CoA (CHEBI:15513) has functional parent acrylic acid (CHEBI:18308) |
| acryloyl-CoA (CHEBI:15513) has functional parent coenzyme A (CHEBI:15346) |
| acryloyl-CoA (CHEBI:15513) has role mouse metabolite (CHEBI:75771) |
| acryloyl-CoA (CHEBI:15513) is a 2-enoyl-CoA (CHEBI:19573) |
| acryloyl-CoA (CHEBI:15513) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| acryloyl-CoA (CHEBI:15513) is conjugate acid of acryloyl-CoA(4−) (CHEBI:57367) |
| Incoming Relation(s) |
| acryloyl-CoA(4−) (CHEBI:57367) is conjugate base of acryloyl-CoA (CHEBI:15513) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) |
| Synonyms | Source |
|---|---|
| Propenoyl-CoA | KEGG COMPOUND |
| Acryloyl-CoA | KEGG COMPOUND |
| Acrylyl-CoA | KEGG COMPOUND |
| Acryloyl-coenzyme A | ChemIDplus |
| Acrylyl-coa | ChemIDplus |
| Acryloyl-coa | ChEBI |