BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-Aminoethyl Dihydrogen Phosphate

Graphical representations:

2-Aminoethyl dihydrogen phosphate image

Molecular Formula: C2 H8 N O4 P

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)

canonical and isomeric SMILES: C(COP(=O)(O)O)N

PUBCHEM iupac NAME: PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-aminoethyl dihydrogen phosphate

PubChem Substance (SID):   85165110   7889597   24898109
PubChem Compound (CID):   1015
KEGG: Compound ID   C00346
CAS Registry IDs:   1071-23-4
PDB Chemical Component   OPE
Miscellaneous Databases and IDs:   Thomson Pharma 00492299   SMID OPE   ChemIDplus 001071234   ChEBI CHEBI:17553   NIST 2750215920   DiscoveryGate 1015   EINECS 213-988-5   DTP/NCI 254167   NIST Chemistry WebBook 2750215920   Sigma-Aldrich P0503_SIGMA   MMDB 13841.20   ChemDB 6683573

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.