Marvin  07270713442D          

  6  5  0  0  0  0            999 V2000
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  1  0  0  0
  1  3  1  0  0  0  0
  4  2  1  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:16651

> <NAME>
(S)-lactate

> <DEFINITION>
An optically active form of lactate having (S)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11065; CHEBI:12411; CHEBI:18783

> <SYNONYM>
L-lactate; L-(+)-lactate; L(+)-lactate; (S)-lactate; (+)-lactate

> <IUPAC_NAME>
(2S)-2-hydroxypropanoate

> <FORMULA>
C3H5O3

> <MASS>
89.07000

> <MONOISOTOPIC_MASS>
89.02442

> <CHARGE>
-1

> <SMILES>
C[C@H](O)C([O-])=O

> <INCHI>
InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1

> <INCHIKEY>
JVTAAEKCZFNVCJ-REOHCLBHSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
4655977

> <GMELIN_REGISTRY_NUMBER>
324523

> <REAXYS_REGISTRY_NUMBER>
4655977

> <KEGG_COMPOUND_ACCESSION>
C00186

> <METACYC_ACCESSION>
L-LACTATE

$$$$