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- ChemComp-MHH: methyl hydrogen (R)-hexylphosphonate -

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Basic information

EntryDatabase: PDB chemical components / ID: MHH
NameName: methyl hydrogen (R)-hexylphosphonate

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Chemical information

Composition
Formula: C7H17O3P / Number of atoms: 28 / Formula weight: 180.182 / Formal charge: 0
Others

2r9t
PDB Unreleased entry

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MHH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2R9T
History
Create componentJan 28, 2008
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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)(OC)CCCCCC
CACTVS 3.341CCCCCC[P](O)(=O)OC
OpenEye OEToolkits 1.5.0CCCCCCP(=O)(O)OC

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SMILES CANONICAL

CACTVS 3.341CCCCCC[P@](O)(=O)OC
OpenEye OEToolkits 1.5.0CCCCCC[P@@](=O)(O)OC

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InChI

InChI 1.03InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)

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InChIKey

InChI 1.03FOQQOPHBXMFLMD-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04methyl hydrogen (R)-hexylphosphonate
OpenEye OEToolkits 1.5.0hexyl-methoxy-phosphinic acid

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PDB entries

Showing all 3 items

PDB-3icw:
Structure of a Circular Permutation on Lipase B from Candida Antartica with Bound Suicide Inhibitor

PDB-6rb0:
STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE

PDB-7pp8:
STRUCTURE OF ESTER-HYDROLASE EH7 FROM METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF METHYL 4-NITROPHENYL HEXYLPHOSPHONATE

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