Mrv0541 03101416142D          

  6  6  0  0  0  0            999 V2000
    5.8164   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8965   -0.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1514   -1.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9484   -1.3194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4839   -1.5908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  6  4  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
M  END
> <ID>
CHEBI:42639

> <NAME>
gamma-butyrolactone

> <DEFINITION>
A  butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42636; CHEBI:18871

> <SYNONYM>
tetrahydrofuran-2-one; gamma-hydroxybutyrolactone; gamma-hydroxybutyric acid lactone; gamma-butyrolactone; GAMMA-BUTYROLACTONE; gamma-butanolactone; dihydro-2(3H)-furanone; Butyrolactone; 4-Hydroxybutyric acid lactone; 4-Deoxytetronic acid; 4-Butyrolactone; 1,4-Lactone; 1,4-Butanolide; 1,2-butanolide

> <IUPAC_NAME>
dihydrofuran-2(3H)-one

> <FORMULA>
C4H6O2

> <MASS>
86.08920

> <MONOISOTOPIC_MASS>
86.03678

> <CHARGE>
0

> <SMILES>
O=C1CCCO1

> <INCHI>
InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2

> <INCHIKEY>
YEJRWHAVMIAJKC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
96-48-0

> <REAXYS_REGISTRY_NUMBER>
105248

> <CHEMIDPLUS>
96-48-0

> <DRUGBANK_ACCESSION>
DB04699

> <KEGG_COMPOUND_ACCESSION>
C01770

> <NIST_CHEMISTRY_WEBBOOK>
96-48-0

> <PDBECHEM_ACCESSION>
GBL

> <WIKIPEDIA_ACCESSION>
Gamma-Butyrolactone

> <PUBMED_CITATION>
12429914; 23245230; 24500753

$$$$