ChEBI
  Mrv0541 08061411562D          

  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  1  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  1  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:17053

> <NAME>
L-aspartic acid

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40900; CHEBI:40913; CHEBI:40942; CHEBI:40853; CHEBI:6193; CHEBI:21247

> <SYNONYM>
L-Aspartic acid; L-Asparaginsaeure; D; ASPARTIC ACID; Asp; 2-Aminosuccinic acid; (S)-2-aminosuccinic acid; (S)-2-aminobutanedioic acid

> <IUPAC_NAME>
L-aspartic acid; (2S)-2-aminobutanedioic acid

> <FORMULA>
C4H7NO4; 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-/m0/s1

> <INCHIKEY>
CKLJMWTZIZZHCS-REOHCLBHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1723530

> <CAS_REGISTRY_NUMBER>
56-84-8

> <GMELIN_REGISTRY_NUMBER>
3333

> <REAXYS_REGISTRY_NUMBER>
1723530

> <CHEMIDPLUS>
56-84-8

> <DRUGBANK_ACCESSION>
DB00128

> <ECMDB_ACCESSION>
ECMDB00191

> <KEGG_COMPOUND_ACCESSION>
C00049

> <KEGG_DRUG_ACCESSION>
D00013

> <KNAPSACK_ACCESSION>
C00001342

> <METACYC_ACCESSION>
L-ASPARTATE

> <NIST_CHEMISTRY_WEBBOOK>
56-84-8

> <PDBECHEM_ACCESSION>
ASP

> <YMDB_ACCESSION>
YMDB00896

> <PUBMED_CITATION>
11568288; 21359215; 22770225

$$$$