Marvin  01110618162D          

  6  5  0  0  1  0            999 V2000
    1.8187    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -0.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5331   -0.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1042   -1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3897    0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  1  0  0  0
M  END
> <ID>
CHEBI:16977

> <NAME>
L-alanine

> <DEFINITION>
The L-enantiomer of alanine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6171; CHEBI:40734; CHEBI:40735; CHEBI:46308; CHEBI:13069; CHEBI:21216

> <SYNONYM>
L-alpha-alanine; L-alpha-Alanine; L-Alanine; L-Alanin; L-2-Aminopropionic acid; ALANINE; Ala; A; (S)-alanine; (S)-2-aminopropanoic acid; (2S)-2-aminopropanoic acid

> <IUPAC_NAME>
L-alanine

> <FORMULA>
C3H7NO2

> <MASS>
89.09322

> <MONOISOTOPIC_MASS>
89.04768

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1

> <INCHIKEY>
QNAYBMKLOCPYGJ-REOHCLBHSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1720248

> <CAS_REGISTRY_NUMBER>
56-41-7

> <GMELIN_REGISTRY_NUMBER>
49628

> <REAXYS_REGISTRY_NUMBER>
1720248

> <CHEMIDPLUS>
56-41-7

> <DRUGBANK_ACCESSION>
DB00160

> <ECMDB_ACCESSION>
ECMDB00161

> <KEGG_COMPOUND_ACCESSION>
C00041

> <KEGG_DRUG_ACCESSION>
D00012

> <KNAPSACK_ACCESSION>
C00001332

> <METACYC_ACCESSION>
ALPHA-ALANINE

> <NIST_CHEMISTRY_WEBBOOK>
56-41-7

> <PDBECHEM_ACCESSION>
ALA_LFOH

> <WIKIPEDIA_ACCESSION>
Alanine

> <YMDB_ACCESSION>
YMDB00154

> <PUBMED_CITATION>
18235971; 22735334; 3275662

$$$$