BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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L-Aspartic Acid

Graphical representations:

L_aspartic_acid

View large 3D structure

Molecular Formula: C4H7NO4

Natural Isotopic Abundance Mass: 133.1026800000

Mono-Isotopic Molecular Masses:

  • C12N14: 133.037507718
  • C13N14: 137.05092707
  • C12N15: 134.034542612
  • C13N15: 138.0479619627

InChI string: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

IUPAC: (2S)-2-aminobutanedioic acid

PubChem Compound (CID): 5960
KEGG Compound ID: C00049
CAS Registry number: 1115-63-5 14007-45-5 17090-93-6 181119-33-5 2001-89-0 2068-80-6 21059-46-1 3792-50-5 39162-75-9 5598-53-8 56-84-8 6899-03-2
ChEBI: 17053
NSC: 3973
EINECS: 200-291-6
FEMA No.: 3565
Beilstein Handbook Reference: 4-04-00-02998
HSDB: 1430
PDB Compound ID: ASP ASP_LFOH ASP_LFZW

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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)