Marvin  11120712142D          

  8  7  0  0  0  0            999 V2000
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1650    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
M  END
> <ID>
CHEBI:17553

> <NAME>
O-phosphoethanolamine

> <DEFINITION>
The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14224; CHEBI:44681; CHEBI:4881; CHEBI:14814; CHEBI:23980; CHEBI:12694

> <SYNONYM>
phosphoryl-ethanolamine; phosphoric acid 2-aminoethyl phenyl ester; Phosphoethanolamine; pEtN; PETN; PEA; PE; OPE; O-Phosphorylethanolamine; O-Phosphoethanolamine; O-phosphocolamine; monoaminoethyl phosphate; mono(2-aminoethyl) phosphate; Ethanolamine phosphate; ethanolamine O-phosphate; ethanolamine O-phosphate; ethanolamine acid phosphate; EAP; colaminphosphoric acid; colamine phosphoric acid; colamine phosphate; 2-amino-ethanol phosphate; 2-amino-ethanol dihydrogen phosphate

> <IUPAC_NAME>
2-aminoethyl dihydrogen phosphate

> <FORMULA>
C2H8NO4P

> <MASS>
141.06302

> <MONOISOTOPIC_MASS>
141.01909

> <CHARGE>
0

> <SMILES>
NCCOP(O)(O)=O

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

> <INCHIKEY>
SUHOOTKUPISOBE-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1758916

> <CAS_REGISTRY_NUMBER>
1071-23-4

> <GMELIN_REGISTRY_NUMBER>
663022

> <REAXYS_REGISTRY_NUMBER>
1758916

> <CHEMIDPLUS>
1071-23-4

> <DRUGBANK_ACCESSION>
DB01738

> <KEGG_COMPOUND_ACCESSION>
C00346

> <METACYC_ACCESSION>
PHOSPHORYL-ETHANOLAMINE

> <NIST_CHEMISTRY_WEBBOOK>
1071-23-4

> <PDBECHEM_ACCESSION>
OPE

> <PUBMED_CITATION>
1112054; 7791524

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