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CHEBI:71540 - isoheptadecanoyl-CoA
| Formula | C38H68N7O17P3S |
| Net Charge | 0 |
| Average Mass | 1019.983 |
| Monoisotopic Mass | 1019.36052 |
| SMILES | CC(C)CCCCCCCCCCCCCC(=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/C38H68N7O17P3S/c1-26(2)16-14-12-10-8-6-5-7-9-11-13-15-17-29(47)66-21-20-40-28(46)18-19-41-36(50)33(49)38(3,4)23-59-65(56,57)62-64(54,55)58-22-27-32(61-63(51,52)53)31(48)37(60-27)45-25-44-30-34(39)42-24-43-35(30)45/h24-27,31-33,37,48-49H,5-23H2,1-4H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t27-,31-,32-,33+,37-/m1/s1 |
| InChIKey | AZUNRVWJJVHLJB-DUPKZGIXSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isoheptadecanoyl-CoA (CHEBI:71540) has functional parent isoheptadecanoic acid (CHEBI:70850) |
| isoheptadecanoyl-CoA (CHEBI:71540) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348) |
| isoheptadecanoyl-CoA (CHEBI:71540) is a long-chain fatty acyl-CoA (CHEBI:33184) |
| isoheptadecanoyl-CoA (CHEBI:71540) is a methyl-branched fatty acyl-CoA (CHEBI:25271) |
| isoheptadecanoyl-CoA (CHEBI:71540) is a saturated fatty acyl-CoA (CHEBI:231546) |
| isoheptadecanoyl-CoA (CHEBI:71540) is conjugate acid of isoheptadecanoyl-CoA(4−) (CHEBI:71461) |
| Incoming Relation(s) |
| isoheptadecanoyl-CoA(4−) (CHEBI:71461) is conjugate base of isoheptadecanoyl-CoA (CHEBI:71540) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(15-methylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonyms | Source |
|---|---|
| 15-methylhexadecanoyl-coenzyme A | ChEBI |
| isoheptadecanoyl-coenzyme A | ChEBI |
| 15-methylhexadecanoyl-CoA | ChEBI |