ChEBI
  Marvin  10040709232D          

 10  9  0  0  1  0            999 V2000
    6.7436   -3.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258   -3.6840    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5903   -3.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7436   -2.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4493   -3.6840    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0258   -4.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8606   -3.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8955   -2.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3080   -3.2773    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7205   -2.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  1  2  0  0  0  0
  9  2  1  0  0  0  0
  2  6  1  6  0  0  0
  3  9  1  0  0  0  0
  7  3  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:15980

> <NAME>
(R)-pantoate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11006; CHEBI:44662; CHEBI:18695; CHEBI:18696; CHEBI:350

> <SYNONYM>
PANTOATE; (R)-pantoate; (R)-Pantoate

> <IUPAC_NAME>
(2R)-2,4-dihydroxy-3,3-dimethylbutanoate

> <FORMULA>
C6H11O4

> <MASS>
147.14914

> <MONOISOTOPIC_MASS>
147.06628

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/p-1/t4-/m0/s1

> <INCHIKEY>
OTOIIPJYVQJATP-BYPYZUCNSA-M

> <DRUGBANK_ACCESSION>
DB01930

> <KEGG_COMPOUND_ACCESSION>
C00522

> <PDBECHEM_ACCESSION>
PAF

$$$$