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- ChemComp-PMV: (3R)-3-HYDROXY-3-METHYL-5-(PHOSPHONOOXY)PENTANOIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: PMV
NameName: (3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
Synonyms: PHOSPHOMEVALONATE

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Chemical information

Composition
Formula: C6H13O7P / Number of atoms: 27 / Formula weight: 228.137 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PMV / Ideal coordinates details: Corina V3.40
History
Create componentApr 30, 2007
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / 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)OCCC(O)(C)CC(=O)O
CACTVS 3.341C[C](O)(CCO[P](O)(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(CCOP(=O)(O)O)(CC(=O)O)O

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SMILES CANONICAL

CACTVS 3.341C[C@@](O)(CCO[P](O)(O)=O)CC(O)=O
OpenEye OEToolkits 1.5.0C[C@@](CCOP(=O)(O)O)(CC(=O)O)O

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InChI

InChI 1.03InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1

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InChIKey

InChI 1.03OKZYCXHTTZZYSK-ZCFIWIBFSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid
OpenEye OEToolkits 1.5.0(3R)-3-hydroxy-3-methyl-5-phosphonooxy-pentanoic acid

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PDB entries

Showing all 4 items

PDB-3gon:
Streptococcus pneumoniae Phosphomevalonate Kinase in Complex with Phosphomevalonate and AMPPNP

PDB-6mdf:
Mevalonate kinase from Methanosarcina mazei with 5-phosphomevalonate bound

PDB-6n0x:
Crystal structure of Anaerolinea thermophila mevalonate 5-phosphate decarboxylase complexed with (R)-MVAP

PDB-7cns:
Crystal structure of Thermococcus kodakaraensis aconitase X (holo-form)

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