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- ChemComp-GPE: L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: GPE
NameName: L-alpha-glycerophosphorylethanolamine

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Chemical information

Composition
Formula: C5H14NO6P / Number of atoms: 27 / Formula weight: 215.142 / Formal charge: 0
Others

1a8b

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: GPE / Model coordinates PDB-ID: 1A8B
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / Rhea / 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(OCC(O)CO)(OCCN)O
CACTVS 3.341NCCO[P](O)(=O)OC[CH](O)CO
OpenEye OEToolkits 1.5.0C(COP(=O)(O)OCC(CO)O)N

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SMILES CANONICAL

CACTVS 3.341NCCO[P@@](O)(=O)OC[C@H](O)CO
OpenEye OEToolkits 1.5.0C(CO[P@](=O)(O)OC[C@@H](CO)O)N

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InChI

InChI 1.03InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m1/s1

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InChIKey

InChI 1.03JZNWSCPGTDBMEW-RXMQYKEDSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-aminoethyl (2R)-2,3-dihydroxypropyl hydrogen (S)-phosphate
OpenEye OEToolkits 1.5.02-aminoethyl [(2R)-2,3-dihydroxypropyl] hydrogen phosphate

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PDB entries

Showing all 3 items

PDB-1a8b:
RAT ANNEXIN V COMPLEXED WITH GLYCEROPHOSPHOETHANOLAMINE

PDB-5t1p:
Crystal structure of the putative periplasmic solute-binding protein from Campylobacter jejuni

PDB-6ra9:
Novel structural features and post-translational modifications in eukaryotic elongation factor 1A2 from Oryctolagus cuniculus

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