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CHEBI:79293 - 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
| Formula | C34H46N7O19P3S |
| Net Charge | 0 |
| Average Mass | 981.761 |
| Monoisotopic Mass | 981.17820 |
| SMILES | COc1cc(C)c2ccc(O)c(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3OP(=O)(O)O)c2c1 |
| InChI | InChI=1S/C34H46N7O19P3S/c1-17-11-18(55-4)12-20-19(17)5-6-21(42)24(20)33(47)64-10-9-36-23(43)7-8-37-31(46)28(45)34(2,3)14-57-63(53,54)60-62(51,52)56-13-22-27(59-61(48,49)50)26(44)32(58-22)41-16-40-25-29(35)38-15-39-30(25)41/h5-6,11-12,15-16,22,26-28,32,42,44-45H,7-10,13-14H2,1-4H3,(H,36,43)(H,37,46)(H,51,52)(H,53,54)(H2,35,38,39)(H2,48,49,50)/t22-,26-,27-,28+,32-/m1/s1 |
| InChIKey | NZEXFTJEVMQGIT-GMHMEAMDSA-N |
| Roles Classification |
|---|
| Chemical Role: | acyl donor Any donor that can transfer acyl groups between molecular entities. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) has functional parent 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid (CHEBI:79125) |
| 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) is a acyl-CoA (CHEBI:17984) |
| 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) is conjugate acid of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−) (CHEBI:78376) |
| Incoming Relation(s) |
| 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4−) (CHEBI:78376) is conjugate base of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA (CHEBI:79293) |
| IUPAC Name |
|---|
| 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} |
| Synonym | Source |
|---|---|
| 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-coenzyme A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-16521 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11087474 | Reaxys |