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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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DL-Serine
DL-Serine synonyms
3-Hydroxyalanine; Serine DL-form; 2-Amino-3-hydroxypropionic acid; SERINE, (L); Serine
Molecular Formula: C3 H7 N O3
Natural Isotopic Abundance Mass: 105.0925800000
Mono-Isotopic Molecular Masses:
- C12N14: 105.042593096
- C13N14: 108.05265761
- C12N15: 106.039627989
- C13N15: 109.0496925028
InChI String: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
isomeric and canonical SMILES: C(C(C(=O)O)N)O
IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
2-amino-3-hydroxy-propanoic acid
PubChem Compound (CID): 617
KEGG: Compound ID C00716
CAS Registry IDs: 56-45-1 6898-95-9
PDB Chemical Component DSN SEG SER SER_LFOH SER_LFZW
Miscellaneous Databases and IDs: CHEBI 17822 CCRIS 5422 NSC 9960 EINECS 206-130-6
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