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- ChemComp-MB8: (2Z)-2-methylbut-2-enoic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: MB8
NameName: (2Z)-2-methylbut-2-enoic acid

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Chemical information

Composition
Formula: C5H8O2 / Number of atoms: 15 / Formula weight: 100.116 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: MB8 / Ideal coordinates details: Corina
History
Create componentSep 21, 2012
Initial releaseMay 7, 2014
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / LipidMaps / Metabolights / NMRShiftDB / 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=C(O)\C(=C/C)C
CACTVS 3.370CC=C(C)C(O)=O
OpenEye OEToolkits 1.7.6CC=C(C)C(=O)O

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SMILES CANONICAL

CACTVS 3.370C\C=C(C)/C(O)=O
OpenEye OEToolkits 1.7.6C/C=C(/C)\C(=O)O

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InChI

InChI 1.03InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-

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InChIKey

InChI 1.03UIERETOOQGIECD-ARJAWSKDSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2Z)-2-methylbut-2-enoic acid
OpenEye OEToolkits 1.7.6(Z)-2-methylbut-2-enoic acid

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PDB entries

Showing all 5 items

PDB-4mq9:
Crystal structure of Thermus thermophilus RNA polymerase holoenzyme in complex with GE23077

PDB-4oin:
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077

PDB-4oip:
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077, ATP, and CMPcPP

PDB-4oiq:
Crystal structure of Thermus thermophilus transcription initiation complex soaked with GE23077 and rifampicin

PDB-4oir:
Crystal structure of Thermus thermophilus RNA polymerase transcription initiation complex soaked with GE23077 and rifamycin SV

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