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- ChemComp-OPE: PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER -

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Basic information

EntryDatabase: PDB chemical components / ID: OPE
NameName: phosphoric acid mono-(2-amino-ethyl) ester / Synonyms: COLAMINE PHOSPHORIC ACID

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Chemical information

Composition
Formula: C2H8NO4P / Number of atoms: 16 / Formula weight: 141.063 / Formal charge: 0
Others

1b7a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: OPE / Model coordinates PDB-ID: 1B7A
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)OCCN
CACTVS 3.341NCCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N

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SMILES CANONICAL

CACTVS 3.341NCCO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N

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InChI

InChI 1.03InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)

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InChIKey

InChI 1.03SUHOOTKUPISOBE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-aminoethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.02-aminoethyl dihydrogen phosphate

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