Marvin  02240611312D          

  7  6  0  0  0  0            999 V2000
    0.6124    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1021   -0.1768    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1021   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
> <ID>
CHEBI:17822

> <NAME>
serine

> <DEFINITION>
An α-amino acid that is alanine substituted at position 3 by a hydroxy group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:15081; CHEBI:26648; CHEBI:9116

> <SYNONYM>
Serine; Serine; Serin; 3-Hydroxyalanine; 2-Amino-3-hydroxypropionic acid; 2-amino-3-hydroxypropanoic acid

> <IUPAC_NAME>
serine

> <FORMULA>
C3H7NO3

> <MASS>
105.09262

> <MONOISOTOPIC_MASS>
105.04259

> <CHARGE>
0

> <SMILES>
NC(CO)C(O)=O

> <INCHI>
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)

> <INCHIKEY>
MTCFGRXMJLQNBG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1721402

> <CAS_REGISTRY_NUMBER>
302-84-1

> <GMELIN_REGISTRY_NUMBER>
26429

> <REAXYS_REGISTRY_NUMBER>
1721402

> <CHEMIDPLUS>
302-84-1

> <KEGG_COMPOUND_ACCESSION>
C00716

> <KNAPSACK_ACCESSION>
C00001393

> <NIST_CHEMISTRY_WEBBOOK>
302-84-1

> <WIKIPEDIA_ACCESSION>
Serine

$$$$