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- ChemComp-FV3: (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,... -

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Basic information

EntryDatabase: PDB chemical components / ID: FV3
NameName: (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol

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Chemical information

Composition
Formula: C18H32O3 / Number of atoms: 53 / Formula weight: 296.445 / Formal charge: 0
Others

7cc3

Type: non-polymer / PDB classification: HETAIN / Three letter code: FV3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CC3
History
Create componentJun 17, 2020
Initial releaseApr 28, 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

CACTVS 3.385CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO
OpenEye OEToolkits 2.0.7CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CCCC(/C)=C/CCC(/C)=C/COC[C@@H](O)CO
OpenEye OEToolkits 2.0.7CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C)C

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InChI

InChI 1.03InChI=1S/C18H32O3/c1-15(2)7-5-8-16(3)9-6-10-17(4)11-12-21-14-18(20)13-19/h7,9,11,18-20H,5-6,8,10,12-14H2,1-4H3/b16-9+,17-11+/t18-/m0/s1

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InChIKey

InChI 1.03VGIZXGYRSPTVQF-RNKQFFRGSA-N

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PDB entries

Showing all 1 items

PDB-7cc3:
Versatile cis-prenyltransferase MM_0014 from Methanosarcina mazei (crystal type: co-FG)

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