Marvin  05250613412D          

  8  7  0  0  0  0            999 V2000
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  5  1  0  0  0  0
  2  5  1  0  0  0  0
  4  7  1  0  0  0  0
  1  7  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
M  END
> <ID>
CHEBI:15741

> <NAME>
succinic acid

> <DEFINITION>
An α,ω-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:22943; CHEBI:45639; CHEBI:9304; CHEBI:26807

> <SYNONYM>
SUCCINIC ACID; Succinic acid; spirit of amber; HOOC-CH2-CH2-COOH; Ethylenesuccinic acid; E363; Dihydrofumaric acid; Butanedionic acid; Butandisaeure; Bernsteinsaeure; asuccin; amber acid; acidum succinicum; acide succinique; acide butanedioique; 1,2-ethanedicarboxylic acid

> <IUPAC_NAME>
succinic acid; butanedioic acid

> <FORMULA>
C4H6O4

> <MASS>
118.08800

> <MONOISOTOPIC_MASS>
118.02661

> <CHARGE>
0

> <SMILES>
OC(=O)CCC(O)=O

> <INCHI>
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

> <INCHIKEY>
KDYFGRWQOYBRFD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1754069

> <CAS_REGISTRY_NUMBER>
110-15-6

> <GMELIN_REGISTRY_NUMBER>
2785

> <REAXYS_REGISTRY_NUMBER>
1754069

> <CHEMIDPLUS>
110-15-6

> <DRUGBANK_ACCESSION>
DB00139

> <ECMDB_ACCESSION>
ECMDB00254

> <KEGG_COMPOUND_ACCESSION>
C00042

> <KNAPSACK_ACCESSION>
C00001205

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01170043

> <METACYC_ACCESSION>
SUC

> <NIST_CHEMISTRY_WEBBOOK>
110-15-6

> <PDBECHEM_ACCESSION>
SIN

> <WIKIPEDIA_ACCESSION>
Succinic_acid

> <YMDB_ACCESSION>
YMDB00338

> <PUBMED_CITATION>
17439666

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