ChEBI
  Marvin  10140507422D          

 18 20  0  0  1  0            999 V2000
    7.7048  -16.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7048  -17.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327  -18.0946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605  -17.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1605  -16.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327  -16.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490  -16.5783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4342  -17.2758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490  -17.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3433  -20.2176    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6162  -19.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9490  -18.9438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2819  -19.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5244  -20.2176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9482  -20.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2212  -21.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8285  -20.9151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4327  -15.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
 18  6  2  0  0  0  0
  7  5  1  0  0  0  0
  4  5  2  0  0  0  0
  9  4  1  0  0  0  0
 12  9  1  1  0  0  0
  8  9  1  0  0  0  0
  7  8  2  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
 10 17  1  6  0  0  0
 12 11  1  0  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
M  END
> <ID>
CHEBI:28997

> <NAME>
2'-deoxyinosine

> <DEFINITION>
A purine 2ʼ-deoxyribonucleoside that is inosine in which the hydroxy group at position 2ʼ is replaced by a hydrogen.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19248; CHEBI:39841; CHEBI:43293; CHEBI:43436; CHEBI:43437; CHEBI:4413; CHEBI:23629

> <SYNONYM>
Deoxyinosine; Deoxyinosine; 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol; 2'-deoxyinosine

> <IUPAC_NAME>
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-ol; 2'-deoxyinosine

> <FORMULA>
C10H12N4O4

> <MASS>
252.22684

> <MONOISOTOPIC_MASS>
252.08585

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc[nH]c2=O

> <INCHI>
InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1

> <INCHIKEY>
VGONTNSXDCQUGY-RRKCRQDMSA-N

> <CAS_REGISTRY_NUMBER>
890-38-0

> <REAXYS_REGISTRY_NUMBER>
1011821

> <CHEMIDPLUS>
890-38-0

> <DRUGBANK_ACCESSION>
DB02380

> <KEGG_COMPOUND_ACCESSION>
C05512

> <METACYC_ACCESSION>
DEOXYINOSINE

> <YMDB_ACCESSION>
YMDB00659

> <PUBMED_CITATION>
23408659; 24292023

$$$$