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CHEBI:79221 - 3-sulfinopropionyl-CoA
| Formula | C24H40N7O19P3S2 |
| Net Charge | 0 |
| Average Mass | 887.670 |
| Monoisotopic Mass | 887.10332 |
| 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)CCS(=O)O |
| InChI | InChI=1S/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1 |
| InChIKey | NQBUSKKVOLGOGY-IEXPHMLFSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-sulfinopropionyl-CoA (CHEBI:79221) has functional parent 3-sulfinopropionic acid (CHEBI:79222) |
| 3-sulfinopropionyl-CoA (CHEBI:79221) has role bacterial metabolite (CHEBI:76969) |
| 3-sulfinopropionyl-CoA (CHEBI:79221) is a acyl-CoA (CHEBI:17984) |
| 3-sulfinopropionyl-CoA (CHEBI:79221) is conjugate acid of 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) |
| Incoming Relation(s) |
| 3-sulfinopropionyl-CoA(5−) (CHEBI:78349) is conjugate base of 3-sulfinopropionyl-CoA (CHEBI:79221) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3-sulfinopropanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) |
| Synonyms | Source |
|---|---|
| 3-sulfinopropionyl-coenzyme A | ChEBI |
| 3-sulfinopropanoyl-coenzyme A | ChEBI |
| 3-sulfinopropanoyl-CoA | ChEBI |
| Citations |
|---|