BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

O-Acetyl-L-serine

Graphical representations:

O-Acetyl-L-serine image

Molecular Formula: C5 H9 N O4

Natural Isotopic Abundance Mass: 147.12926

Mono-Isotopic Molecular Masses:

  • C12N14: 147.0531577825
  • C13N14: 152.0699319715
  • C12N15: 148.0501926757
  • C13N15: 153.0669668647

InCHi String: InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1

canonical SMILES: CC(=O)OCC(C(=O)O)N

isomeric SMILES: CC(=O)OC[C@@H](C(=O)O)N

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
(2S)-3-acetyloxy-2-aminopropanoic acid

PUBCHEM iupac TRADITIONAL NAME
(2S)-3-acetoxy-2-amino-propionic acid

PUBCHEM iupac OPENEYE NAME
(2S)-3-acetoxy-2-amino-propanoic acid

PUBCHEM iupac SYSTEMATIC NAME
(2S)-3-acetyloxy-2-azanyl-propanoic acid

PubChem Substance (SID):   144080984   4228   24891072
PubChem Compound (CID):   99478
KEGG: Compound ID   C00979
CAS Registry IDs:   66638-22-0   5147-00-2
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 66638-22-0   MDL number MFCD00060169   EC Number 248-800-0   MMCD cq_00666   Sigma-Aldrich A6262_SIGMA   811 HMDB03011   ChEBI CHEBI:58340   BioCyc ACETYLSERINE

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.