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CHEBI:27762 - 3-hydroxypropanoyl-CoA
| Formula | C24H40N7O18P3S |
| Net Charge | 0 |
| Average Mass | 839.604 |
| Monoisotopic Mass | 839.13634 |
| SMILES | CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCO |
| InChI | InChI=1S/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,32,35-36H,3-10H2,1-2H3,(H,26,33)(H,27,37)(H,41,42)(H,43,44)(H2,25,28,29)(H2,38,39,40)/t13-,17-,18-,19+,23-/m1/s1 |
| InChIKey | BERBFZCUSMQABM-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) |
| 3-hydroxypropanoyl-CoA (CHEBI:27762) has functional parent 3-hydroxypropionic acid (CHEBI:33404) |
| 3-hydroxypropanoyl-CoA (CHEBI:27762) has functional parent propionyl-CoA (CHEBI:15539) |
| 3-hydroxypropanoyl-CoA (CHEBI:27762) has role mouse metabolite (CHEBI:75771) |
| 3-hydroxypropanoyl-CoA (CHEBI:27762) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060) |
| 3-hydroxypropanoyl-CoA (CHEBI:27762) is conjugate acid of 3-hydroxypropanoyl-CoA(4−) (CHEBI:58528) |
| Incoming Relation(s) |
| 3-hydroxypropanoyl-CoA(4−) (CHEBI:58528) is conjugate base of 3-hydroxypropanoyl-CoA (CHEBI:27762) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 3-Hydroxypropionyl-CoA | KEGG COMPOUND |
| 3-Hydroxypropanoyl-CoA | KEGG COMPOUND |
| 3-Hydroxypropanoyl coenzymeA | KEGG COMPOUND |
| 3-Hydroxypropionyl coenzyme A | KEGG COMPOUND |
| beta-Hydroxypropionyl-CoA | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C05668 | KEGG COMPOUND |