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CHEBI:233724 - 3-Hydroxy-4,8,12-trimethyltetradec-2-enedioic acid CoA
| Formula | C38H61N7O20P3S |
| Net Charge | -5 |
| Average Mass | 1060.924 |
| Monoisotopic Mass | 1060.29324 |
| SMILES | CC(CCCC(C)CC(=O)[O-])CCCC(C)C(O)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/C38H66N7O20P3S/c1-22(8-6-10-23(2)16-28(48)49)9-7-11-24(3)25(46)17-29(50)69-15-14-40-27(47)12-13-41-36(53)33(52)38(4,5)19-62-68(59,60)65-67(57,58)61-18-26-32(64-66(54,55)56)31(51)37(63-26)45-21-44-30-34(39)42-20-43-35(30)45/h20-26,31-33,37,46,51-52H,6-19H2,1-5H3,(H,40,47)(H,41,53)(H,48,49)(H,57,58)(H,59,60)(H2,39,42,43)(H2,54,55,56)/p-5/t22?,23?,24?,25?,26-,31-,32-,33+,37-/m1/s1 |
| InChIKey | KHYLLDLALAFAEE-OCDAEADBSA-I |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Hydroxy-4,8,12-trimethyltetradec-2-enedioic acid CoA (CHEBI:233724) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102) |
| 3-Hydroxy-4,8,12-trimethyltetradec-2-enedioic acid CoA (CHEBI:233724) is a human metabolite (CHEBI:77746) |
| 3-Hydroxy-4,8,12-trimethyltetradec-2-enedioic acid CoA (CHEBI:233724) is a multi-methyl-branched fatty acyl-CoA (CHEBI:18100) |
| 3-Hydroxy-4,8,12-trimethyltetradec-2-enedioic acid CoA (CHEBI:233724) is a organic molecular entity (CHEBI:50860) |
| 3-Hydroxy-4,8,12-trimethyltetradec-2-enedioic acid CoA (CHEBI:233724) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898) |
| IUPAC Name |
|---|
| 14-[(2-{3-[(2R)-3-[({[({[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-2-hydroxy-3-methylbutanamido]propanamido}ethyl)sulfanyl]-12-hydroxy-3,7,11-trimethyl-14-oxotetradecanoic acid |
| Citations |
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