Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2-Aminoethyl Dihydrogen Phosphate

Graphical representations:


View large 3D structure

Molecular Formula: C2H8NO4P

Natural Isotopic Abundance Mass: 141.062981

Mono-Isotopic Molecular Masses:

  • C12N14: 141.0190942604
  • C13N14: 143.025803936
  • C12N15: 142.0161291536
  • C13N15: 144.0228388292

InChI string: InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

PubChem Compound (CID): 1015
CAS Registry number: 1071-23-4
Thomson Pharma: 00492299
ChemIDplus: 001071234
ChEBI: CHEBI:17553
NIST: 2750215920
DiscoveryGate: 1015
EINECS: 213-988-5
KEGG Compound ID: C00346
DTP/NCI: 254167
NIST Chemistry WebBook: 2750215920
Sigma-Aldrich: P0503_SIGMA
MMDB: 13841.20
ChemDB: 6683573
PDB Compound ID: OPE

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,