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CHEBI:85889 - (Z)-hex-3-enoyl-CoA
| Formula | C27H44N7O17P3S |
| Net Charge | 0 |
| Average Mass | 863.670 |
| Monoisotopic Mass | 863.17272 |
| SMILES | CC/C=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/C27H44N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h5-6,14-16,20-22,26,37-38H,4,7-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/b6-5-/t16-,20-,21-,22+,26-/m1/s1 |
| InChIKey | SKDDJNFRAZIJIG-KEOONSNPSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (Z)-hex-3-enoyl-CoA (CHEBI:85889) has functional parent cis-hex-3-enoic acid (CHEBI:49284) |
| (Z)-hex-3-enoyl-CoA (CHEBI:85889) is a cis-3-enoyl-CoA (CHEBI:27773) |
| (Z)-hex-3-enoyl-CoA (CHEBI:85889) is a medium-chain fatty acyl-CoA (CHEBI:61907) |
| (Z)-hex-3-enoyl-CoA (CHEBI:85889) is a monounsaturated fatty acyl-CoA (CHEBI:139575) |
| (Z)-hex-3-enoyl-CoA (CHEBI:85889) is conjugate acid of (Z)-hex-3-enoyl-CoA(4−) (CHEBI:85415) |
| Incoming Relation(s) |
| (Z)-hex-3-enoyl-CoA(4−) (CHEBI:85415) is conjugate base of (Z)-hex-3-enoyl-CoA (CHEBI:85889) |
| IUPAC Name |
|---|
| 5'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z)-hex-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| cis-3-hexenoyl-CoA | ChEBI |
| cis-hex-3-enoyl-coenzyme A | ChEBI |
| (Z)-hex-3-enoyl-coenzyme A | ChEBI |
| (3Z)-hexenoyl-coenzyme A | ChEBI |
| cis-3-hexenoyl-coenzyme A | ChEBI |
| (3Z)-hexenoyl-CoA | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11165740 | Reaxys |