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- ChemComp-911: (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) -

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Basic information

EntryDatabase: PDB chemical components / ID: 911
NameName: (1-hydroxyethane-1,1-diyl)bis(phosphonic acid) / Synonyms: Etidronic acid
Commentmedication, detergent*YM

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Chemical information

Composition
Formula: C2H8O7P2 / Number of atoms: 19 / Formula weight: 206.028 / Formal charge: 0
Others

3sdv

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 911 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3SDV
History
Create componentJun 10, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / 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 12.01O=P(O)(O)C(O)(C)P(=O)(O)O
CACTVS 3.370CC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.7.2CC(O)(P(=O)(O)O)P(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370CC(O)([P](O)(O)=O)[P](O)(O)=O
OpenEye OEToolkits 1.7.2CC(O)(P(=O)(O)O)P(=O)(O)O

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InChI

InChI 1.03InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)

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InChIKey

InChI 1.03DBVJJBKOTRCVKF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(1-hydroxyethane-1,1-diyl)bis(phosphonic acid)
OpenEye OEToolkits 1.7.2(1-oxidanyl-1-phosphono-ethyl)phosphonic acid

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PDB entries

Showing all 1 items

PDB-3sdv:
Structure of a three-domain sesquiterpene synthase: a prospective target for advanced biofuels production

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