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- ChemComp-IP8: Isopentenyl phosphate -

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Basic information

EntryDatabase: PDB chemical components / ID: IP8
NameName: Isopentenyl phosphate / Synonyms: 3-methylbut-3-en-1-yl dihydrogen phosphate

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Chemical information

Composition
Formula: C5H11O4P / Number of atoms: 21 / Formula weight: 166.112 / Formal charge: 0
Others

3k52

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IP8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3K52
History
Create componentOct 21, 2009
Modify descriptorJun 4, 2011
Modify leaving atom flagApr 25, 2012
Modify synonymsJun 5, 2020
Modify backboneNov 3, 2023
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 12.01O=P(OCCC(=C)\C)(O)O
CACTVS 3.370CC(=C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(=C)CCOP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.370CC(=C)CCO[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(=C)CCOP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h1,3-4H2,2H3,(H2,6,7,8)

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InChIKey

InChI 1.03QMZRXYCCCYYMHF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013-methylbut-3-en-1-yl dihydrogen phosphate
OpenEye OEToolkits 1.7.63-methylbut-3-enyl dihydrogen phosphate

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PDB entries

Showing all 5 items

PDB-3k52:
Crystal Structure of Isopentenyl Phosphate Kinase from M. jannaschii in complex with IP

PDB-3lkk:
Crystal structure of the isopentenyl phosphate kinase substrate complex

PDB-3ll5:
Crystal structure of T. acidophilum isopentenyl phosphate kinase product complex

PDB-6qlh:
Crystal structure of UbiX in complex with reduced FMN and isopentyl monophosphate

PDB-7lnu:
Ternary complex of the Isopentenyl Phosphate Kinase from Candidatus methanomethylophilus alvus bound to isopentenyl monophosphate and ATP

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