Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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O-Succinyl-L-homoserine synonyms



Graphical representations:

O-Succinyl-L-homoserine image

View large 3D structure

Molecular Formula: C8 H13 N O6

Natural Isotopic Abundance Mass: 219.1919200000

Mono-Isotopic Molecular Masses:

  • C12N14: 219.074287155
  • C13N14: 227.101125857
  • C12N15: 220.071322048
  • C13N15: 228.0981607507

InChI String: InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/t5-/m0/s1

isomeric SMILES: C(COC(=O)CCC(=O)O)[C@@H](C(=O)O)N

canonical SMILES: C(COC(=O)CCC(=O)O)C(C(=O)O)N

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
4-[(3S)-3-amino-3-carboxy-propoxy]-4-oxo-butanoic acid

PubChem Substance (SID):   85164906   4349
PubChem Compound (CID):   439406
KEGG: Compound ID   C01118
CAS Registry IDs:   1492-23-5
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 16160

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,