SFC
(S)-IBUPROFENOYL-COENZYME A
Find entries where: SFC
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | (S)-IBUPROFENOYL-COENZYME A |
| Synonyms | [5-(6-AMINOPURIN-9-YL)-2-[[[[3-[2-(2-(S)-2-[4-(2-METHYLPROPYL)PHENYL] PROPANOYL)-SULFANYLETHYLCARBAMOYL ETHYLCARBAMOYL]-3-HYDROXY-2,2-DIMETHYL-PROPOXY]-HYDROXY-PHOSPHORYL]OXY-HYDROXY-PHOSPHORYL]OXYMETHYL]-4-HYDROXY-OXOLAN-3-YL]OXYPHOSPHONIC ACID |
| Identifiers | S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2S)-2-[4-(2-methylpropyl)phenyl]propanethioate |
| Formula | C34 H53 N7 O17 P3 S |
| Molecular Weight | 956.808 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)Cc1ccc(cc1)[C@H](C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)[n+]3c[nH]c4c3ncnc4N)O)OP(=O)(O)O)O |
| InChI | InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H8,35,36,37,38,39,42,45,47,48,49,50,51,52,53)/p+1/t20-,23+,26+,27+,28-,32+/m0/s1 |
| InChIKey | NXIKDQUQQHUCJH-MIXAKNBRSA-O |
Chemical Details | |
|---|---|
| Formal Charge | 1 |
| Atom Count | 115 |
| Chiral Atom Count | 8 |
| Bond Count | 118 |
| Aromatic Bond Count | 16 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 49867642 |
