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- ChemComp-EIP: 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: EIP
NameName: 4-hydroxy-3-methyl butyl diphosphate

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Chemical information

Composition
Formula: C5H14O8P2 / Number of atoms: 29 / Formula weight: 264.107 / Formal charge: 0
Others

1nfz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EIP / Model coordinates PDB-ID: 1NFZ
History
Create componentDec 18, 2002
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / 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(OP(=O)(OCCC(CO)C)O)(O)O
CACTVS 3.341C[CH](CO)CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(CCOP(=O)(O)OP(=O)(O)O)CO

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SMILES CANONICAL

CACTVS 3.341C[C@H](CO)CCO[P@@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](CCO[P@](=O)(O)OP(=O)(O)O)CO

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InChI

InChI 1.03InChI=1S/C5H14O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h5-6H,2-4H2,1H3,(H,10,11)(H2,7,8,9)/t5-/m0/s1

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InChIKey

InChI 1.03URURINNTPGGDIV-YFKPBYRVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3S)-4-hydroxy-3-methylbutyl trihydrogen diphosphate
OpenEye OEToolkits 1.5.0[(3S)-4-hydroxy-3-methyl-butyl] phosphono hydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1nfz:
STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE: COMPLEX WITH EIPP

PDB-1ow2:
STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE: COMPLEX OF C67A MUTANT WITH EIPP

PDB-1ppw:
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP

PDB-2b2k:
structure of Y104F IDI-1 mutant in complex with EIPP

PDB-2g73:
Y104F mutant type 1 IPP isomerase complex with EIPP

PDB-3ke8:
Crystal structure of IspH:HMBPP-complex

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