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- ChemComp-ULW: [(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxid... -

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Basic information

EntryDatabase: PDB chemical components / ID: ULW
NameName: [(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate

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Chemical information

Composition
Formula: C22H35NO4 / Number of atoms: 62 / Formula weight: 377.518 / Formal charge: 0
Others

7nqc

Type: non-polymer / PDB classification: HETAIN / Three letter code: ULW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7NQC
History
Create componentMar 1, 2021
Initial releaseSep 22, 2021
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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)CCCC(C)=CCCC(C)=CCOC(=O)CCN1C(=O)CCC1=O
OpenEye OEToolkits 2.0.7CC(C)CCCC(=CCCC(=CCOC(=O)CCN1C(=O)CCC1=O)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)CCCC(\C)=C/CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O
OpenEye OEToolkits 2.0.7CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CCC1=O)/C)/C

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InChI

InChI 1.03InChI=1S/C22H35NO4/c1-17(2)7-5-8-18(3)9-6-10-19(4)14-16-27-22(26)13-15-23-20(24)11-12-21(23)25/h9,14,17H,5-8,10-13,15-16H2,1-4H3/b18-9-,19-14-

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InChIKey

InChI 1.03UEVQPHSWLLGCMH-WALGPUPZSA-N

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PDB entries

Showing all 1 items

PDB-7nqc:
Calmodulin extracts the Ras family protein RalA from lipid bilayers by engagement with two membrane targeting motifs

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