M3O
Summary
Name: | 3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate) |
Formula: | C16 H23 N6 O9 P S |
Formal charge: | 0 |
Formula weight: | 506.427 Da |
Component type: | RNA linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3'-O-(N-formyl-L-methionyl)adenosine 5'-(dihydrogen phosphate) |
OpenEye OEToolkits | 1.9.2 | [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl] (2S)-2-formamido-4-methylsulfanyl-butanoate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | P(OCC1C(C(C(O1)n2cnc3c(N)ncnc23)O)OC(=O)C(CCSC)NC=O)(O)(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H23N6O9PS/c1-33-3-2-8(21-7-23)16(25)31-12-9(4-29-32(26,27)28)30-15(11(12)24)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,15,24H,2-4H2,1H3,(H,21,23)(H2,17,18,19)(H2,26,27,28)/t8-,9+,11+,12+,15+/m0/s1 |
InChIKey | InChI | 1.03 | NXOGAYJSSKEKJM-OPYVMVOTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@H](NC=O)C(=O)O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
SMILES | CACTVS | 3.385 | CSCC[CH](NC=O)C(=O)O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CSCC[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O |
SMILES | OpenEye OEToolkits | 1.9.2 | CSCCC(C(=O)OC1C(OC(C1O)n2cnc3c2ncnc3N)COP(=O)(O)O)NC=O |