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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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O-Succinyl-L-homoserine
O-Succinyl-L-homoserine synonyms
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 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, https://www.nature.com/articles/sdata201773