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CHEBI:77653 - (3R)-3-carboxy-3-hydroxypropanoyl-CoA
| Formula | C25H40N7O20P3S |
| Net Charge | 0 |
| Average Mass | 883.613 |
| Monoisotopic Mass | 883.12617 |
| 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)C[C@@H](O)C(=O)O |
| InChI | InChI=1S/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16)32/h10-13,17-19,23,33,36-37H,3-9H2,1-2H3,(H,27,34)(H,28,38)(H,39,40)(H,44,45)(H,46,47)(H2,26,29,30)(H2,41,42,43)/t12-,13-,17-,18-,19+,23-/m1/s1 |
| InChIKey | HJQWLHMLMCDAEL-UEOCDHLLSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3R)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:77653) has functional parent (R)-malic acid (CHEBI:30796) |
| (3R)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:77653) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456) |
| (3R)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:77653) is conjugate acid of (3R)-3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:77427) |
| Incoming Relation(s) |
| (3R)-3-carboxy-3-hydroxypropanoyl-CoA(5−) (CHEBI:77427) is conjugate base of (3R)-3-carboxy-3-hydroxypropanoyl-CoA (CHEBI:77653) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-carboxy-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (R)-malyl-coenzyme A | ChEBI |
| (R)-malyl-CoA | ChEBI |
| (3R)-3-carboxy-3-hydroxypropanoyl-coenzyme A | ChEBI |
| D-malyl-CoA | ChEBI |
| D-malyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-9449 | MetaCyc |
| Citations |
|---|