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CHEBI:15459 - (3S)-citryl-CoA
| Formula | C27H42N7O22P3S |
| Net Charge | 0 |
| Average Mass | 941.649 |
| Monoisotopic Mass | 941.13165 |
| 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@@](O)(CC(=O)O)C(=O)O |
| InChI | InChI=1S/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31-11-32-22(17)34/h11-13,18-20,24,39-40,44H,3-10H2,1-2H3,(H,29,35)(H,30,41)(H,36,37)(H,42,43)(H,48,49)(H,50,51)(H2,28,31,32)(H2,45,46,47)/t13-,18-,19-,20+,24-,27+/m1/s1 |
| InChIKey | IHVFHZGGMJDGGZ-VPXVXCNZSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3S)-citryl-CoA (CHEBI:15459) has functional parent citric acid (CHEBI:30769) |
| (3S)-citryl-CoA (CHEBI:15459) has functional parent coenzyme A (CHEBI:15346) |
| (3S)-citryl-CoA (CHEBI:15459) is a (S)-3-hydroxyacyl-CoA (CHEBI:15455) |
| (3S)-citryl-CoA (CHEBI:15459) is conjugate acid of (3S)-citryl-CoA(6−) (CHEBI:57321) |
| Incoming Relation(s) |
| (3S)-citryl-CoA(6−) (CHEBI:57321) is conjugate base of (3S)-citryl-CoA (CHEBI:15459) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| (3S)-Citryl-CoA | KEGG COMPOUND |
| (3S)-citryl-CoA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00566 | KEGG COMPOUND |
| C00566 | KEGG COMPOUND |
| LMFA07050120 | LIPID MAPS |
| Citations |
|---|