ChEBI


 10 11  0  0  0  0  0  0  0  0  1 V2000
    9.5711   -6.4220   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5711   -7.7520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -5.7570   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -8.4170   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674   -6.4220   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2674   -7.7520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8360   -8.1631   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6177   -7.0871   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8360   -6.0110   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -4.4270   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  6  1  0  0  0  0
  8  7  2  0  0  0  0
  2  7  1  0  0  0  0
  9  8  1  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
 10  3  2  0  0  0  0
M  END
> <ID>
CHEBI:17368

> <NAME>
hypoxanthine

> <DEFINITION>
A purine nucleobase that consists of purine bearing an oxo substituent at position 6.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24762; CHEBI:43237; CHEBI:5841; CHEBI:14431

> <SYNONYM>
Purine-6-ol; purin-6(1H)-one; hypoxanthine; HYPOXANTHINE; Hypoxanthine; Hyp; 9H-purin-6(1H)-one; 6-oxopurine; 6(1H)-purinone

> <IUPAC_NAME>
1,7-dihydro-6H-purin-6-one

> <FORMULA>
C5H4N4O

> <MASS>
136.11162

> <MONOISOTOPIC_MASS>
136.03851

> <CHARGE>
0

> <SMILES>
O=c1[nH]cnc2nc[nH]c12

> <INCHI>
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)

> <INCHIKEY>
FDGQSTZJBFJUBT-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5811

> <CAS_REGISTRY_NUMBER>
68-94-0

> <GMELIN_REGISTRY_NUMBER>
464558

> <REAXYS_REGISTRY_NUMBER>
5811

> <CHEMIDPLUS>
68-94-0

> <DRUGBANK_ACCESSION>
DB04076

> <ECMDB_ACCESSION>
ECMDB00157

> <KEGG_COMPOUND_ACCESSION>
C00262

> <KNAPSACK_ACCESSION>
C00001502

> <METACYC_ACCESSION>
HYPOXANTHINE

> <NIST_CHEMISTRY_WEBBOOK>
68-94-0

> <PDBECHEM_ACCESSION>
HPA

> <WIKIPEDIA_ACCESSION>
Hypoxanthine

> <YMDB_ACCESSION>
YMDB00555

> <PUBMED_CITATION>
14253484; 1557408; 22735334; 23400363; 23670363; 8016081

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