31H
Summary
| Name: | 3'-deoxy-3'-[(N-formyl-L-methionyl)amino]adenosine 5'-(dihydrogen phosphate) |
| Formula: | C16 H24 N7 O8 P S |
| Formal charge: | 0 |
| Formula weight: | 505.443 Da |
| Component type: | RNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-deoxy-3'-[(N-formyl-L-methionyl)amino]adenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[[(2S)-2-formamido-4-methylsulfanyl-butanoyl]amino]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3NC(=O)C(NC=O)CCSC |
| InChI | InChI | 1.03 | InChI=1S/C16H24N7O8PS/c1-33-3-2-8(21-7-24)15(26)22-10-9(4-30-32(27,28)29)31-16(12(10)25)23-6-20-11-13(17)18-5-19-14(11)23/h5-10,12,16,25H,2-4H2,1H3,(H,21,24)(H,22,26)(H2,17,18,19)(H2,27,28,29)/t8-,9+,10+,12+,16+/m0/s1 |
| InChIKey | InChI | 1.03 | FMKRZAWRBRBXQE-GBPQWNHNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CSCC[C@H](NC=O)C(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.370 | CSCC[CH](NC=O)C(=O)N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CSCC[C@@H](C(=O)N[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CSCCC(C(=O)NC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O |
