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- ChemComp-G2H: 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: G2H
NameName: 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate / Synonyms: GLYCEROL-2-PHOSPHATE

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Chemical information

Composition
Formula: C3H9O6P / Number of atoms: 19 / Formula weight: 172.074 / Formal charge: 0
Others

1woa

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: G2H / Model coordinates PDB-ID: 1WOA
History
Create componentAug 19, 2004
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / 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)OC(CO)CO
CACTVS 3.341OCC(CO)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(CO)OP(=O)(O)O)O

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SMILES CANONICAL

CACTVS 3.341OCC(CO)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(CO)OP(=O)(O)O)O

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InChI

InChI 1.03InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

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InChIKey

InChI 1.03DHCLVCXQIBBOPH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate
OpenEye OEToolkits 1.5.01,3-dihydroxypropan-2-yl dihydrogen phosphate

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PDB entries

Showing all 2 items

PDB-1woa:
Structure of the loop6 hinge mutant of Plasmodium falciparum Triosephosphate Isomerase, W168F, complexed with Glycerol-2-phosphate

PDB-3uwz:
Crystal structure of Staphylococcus aureus triosephosphate isomerase complexed with glycerol-2-phosphate

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