Marvin  04221314452D          

 23 25  0  0  1  0            999 V2000
    9.4257   -3.9565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6807   -4.7413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1957   -5.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6806   -6.0762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4256   -6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6501   -7.1422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4652   -5.8212    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1327   -6.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4653   -4.9962    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1327   -4.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6411   -2.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6411   -3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4257   -2.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9266   -2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9266   -4.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9106   -3.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6807   -1.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2121   -2.8765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9266   -1.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2121   -3.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4976   -4.1140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4876   -1.6655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1286   -1.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12  1  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
  1 16  1  0  0  0  0
 18 20  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
> <ID>
CHEBI:73271

> <NAME>
archaeosine

> <DEFINITION>
A 7-deazaguanine ribonucleoside having 7-formamidino-7-deazaguanine as the nucleobase. It is found in the majority of archaeal tRNAs specifically at position 15 of the dihydrouridine loop (D-loop), a position not modified in either eukaryotic or bacterial tRNA.

> <STAR>
3

> <SYNONYM>
G*; 7-formamidino-7-deazaguanosine

> <IUPAC_NAME>
2-amino-4-oxo-7-(beta-D-ribofuranosyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide

> <FORMULA>
C12H16N6O5

> <MASS>
324.29260

> <MONOISOTOPIC_MASS>
324.11822

> <CHARGE>
0

> <SMILES>
NC(=N)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12

> <INCHI>
InChI=1S/C12H16N6O5/c13-8(14)3-1-18(9-5(3)10(22)17-12(15)16-9)11-7(21)6(20)4(2-19)23-11/h1,4,6-7,11,19-21H,2H2,(H3,13,14)(H3,15,16,17,22)/t4-,6-,7-,11-/m1/s1

> <INCHIKEY>
PEMQXWCOMFJRLS-RPKMEZRRSA-N

> <CAS_REGISTRY_NUMBER>
148608-52-0

> <REAXYS_REGISTRY_NUMBER>
18583543

> <CHEMIDPLUS>
148608-52-0

> <METACYC_ACCESSION>
CPD-13057

> <PUBMED_CITATION>
18004462; 21999246; 22032275; 23201278; 9242689

$$$$