ChEBI
  Marvin  12130514392D          

  9  8  0  0  1  0            999 V2000
   12.6541   -6.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -6.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   -5.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2251   -6.9657    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2251   -7.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5106   -6.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -6.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0817   -6.5532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7962   -7.7907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
M  END
> <ID>
CHEBI:17364

> <NAME>
D-aspartic acid

> <DEFINITION>
The D-enantiomer of aspartic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4108; CHEBI:20920

> <SYNONYM>
DAS; D-Aspartic acid; D-Asparaginsaeure; aspartic acid D-form; (R)-2-aminosuccinic acid; (R)-2-aminobutanedioic acid

> <IUPAC_NAME>
D-aspartic acid; (2R)-2-aminobutanedioic acid

> <FORMULA>
C4H7NO4

> <MASS>
133.10270

> <MONOISOTOPIC_MASS>
133.03751

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1

> <INCHIKEY>
CKLJMWTZIZZHCS-UWTATZPHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723529

> <CAS_REGISTRY_NUMBER>
1783-96-6

> <GMELIN_REGISTRY_NUMBER>
602084

> <REAXYS_REGISTRY_NUMBER>
1723529

> <CHEMIDPLUS>
1783-96-6

> <DRUGBANK_ACCESSION>
DB02655

> <KEGG_COMPOUND_ACCESSION>
C00402

> <METACYC_ACCESSION>
CPD-302

> <NIST_CHEMISTRY_WEBBOOK>
1783-96-6

> <PDBECHEM_ACCESSION>
DAS

> <PUBMED_CITATION>
11419736; 17118457; 17407322; 18318836; 19860889

$$$$