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CHEBI:27770 - nonanoyl-CoA
| Formula | C30H52N7O17P3S |
| Net Charge | 0 |
| Average Mass | 907.767 |
| Monoisotopic Mass | 907.23532 |
| SMILES | CCCCCCCCC(=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/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1 |
| InChIKey | WLDUTYVSAGSKIV-FUEUKBNZSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nonanoyl-CoA (CHEBI:27770) has functional parent coenzyme A (CHEBI:15346) |
| nonanoyl-CoA (CHEBI:27770) has functional parent nonanoic acid (CHEBI:29019) |
| nonanoyl-CoA (CHEBI:27770) is a medium-chain fatty acyl-CoA (CHEBI:61907) |
| nonanoyl-CoA (CHEBI:27770) is a saturated fatty acyl-CoA (CHEBI:231546) |
| nonanoyl-CoA (CHEBI:27770) is conjugate acid of nonanoyl-CoA(4−) (CHEBI:76291) |
| Incoming Relation(s) |
| nonanoyl-CoA(4−) (CHEBI:76291) is conjugate base of nonanoyl-CoA (CHEBI:27770) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) |
| Synonyms | Source |
|---|---|
| Nonanoyl-CoA | KEGG COMPOUND |
| Nonanoyl-coenzyme A | ChemIDplus |
| Nonanoyl-coa | ChemIDplus |
| Coenzyme A, S-nonanoate | ChEBI |
| CoA S-nonaoate | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C01942 | KEGG COMPOUND |
| HMDB0013028 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8033294 | Reaxys |
| CAS:17331-98-5 | ChemIDplus |
| Citations |
|---|