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- ChemComp-2HA: Dihydroxyacetone -

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Basic information

EntryDatabase: PDB chemical components / ID: 2HA
NameName: Dihydroxyacetone

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Chemical information

Composition
Formula: C3H6O3 / Number of atoms: 12 / Formula weight: 90.078 / Formal charge: 0
Others

1ojr

Type: saccharide / PDB classification: ATOMS / Three letter code: 2HA / Model coordinates PDB-ID: 1OJR
History
Create componentJul 15, 2003
Modify descriptorJun 4, 2011
Modify atom idJun 29, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / 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=C(CO)CO
CACTVS 3.341OCC(=O)CO
OpenEye OEToolkits 1.5.0C(C(=O)CO)O

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SMILES CANONICAL

CACTVS 3.341OCC(=O)CO
OpenEye OEToolkits 1.5.0C(C(=O)CO)O

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InChI

InChI 1.03InChI=1S/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2

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InChIKey

InChI 1.03RXKJFZQQPQGTFL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,3-dihydroxypropan-2-one
OpenEye OEToolkits 1.5.01,3-dihydroxypropan-2-one

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PDB entries

Showing all 7 items

1ojr

1un9

3ct4

3ohs

3pnq

6f2f

8b4g

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