Marvin  03271215232D          

 20 22  0  0  1  0            999 V2000
    8.6193   -3.7971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6193   -4.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319   -5.0442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319   -3.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446   -3.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446   -4.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8165   -4.8957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2917   -4.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8165   -3.5595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5995   -6.9959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4163   -7.0120    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6858   -6.2067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9951   -5.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3430   -6.2051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6606   -5.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9239   -6.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9086   -7.6640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0872   -7.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319   -2.5796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9067   -3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
 20  1  1  0  0  0  0
  3  2  2  0  0  0  0
  6  3  1  0  0  0  0
  5  4  1  0  0  0  0
 19  4  2  0  0  0  0
  6  5  2  0  0  0  0
  9  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
 10 18  1  6  0  0  0
 12 11  1  0  0  0  0
 11 17  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  0  0  0
 16 15  1  0  0  0  0
 12  7  1  1  0  0  0
M  END
> <ID>
CHEBI:16020

> <NAME>
1-methyladenosine

> <DEFINITION>
A methyladenosine carrying a methyl substituent at position 1.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11266; CHEBI:19061; CHEBI:643

> <SYNONYM>
m1a; 1-methyladenosine; 1-Methyladenosine

> <IUPAC_NAME>
1-methyladenosine

> <FORMULA>
C11H15N5O4

> <MASS>
281.26790

> <MONOISOTOPIC_MASS>
281.11240

> <CHARGE>
0

> <SMILES>
Cn1cnc2n(cnc2c1=N)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

> <INCHI>
InChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1

> <INCHIKEY>
GFYLSDSUCHVORB-IOSLPCCCSA-N

> <CAS_REGISTRY_NUMBER>
15763-06-1

> <REAXYS_REGISTRY_NUMBER>
42832

> <CHEMIDPLUS>
15763-06-1

> <KEGG_COMPOUND_ACCESSION>
C02494

> <METACYC_ACCESSION>
1-METHYLADENOSINE

> <PUBMED_CITATION>
24177150; 24367489; 8434538

$$$$