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- ChemComp-1L3: Menaquinone-4 -

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Basic information

EntryDatabase: PDB chemical components / ID: 1L3
NameName: Menaquinone-4 / Synonyms: vitamin K2

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Chemical information

Composition
Formula: C31H40O2 / Number of atoms: 73 / Formula weight: 444.648 / Formal charge: 0
Others

7f4v

Type: non-polymer / PDB classification: HETAIN / Three letter code: 1L3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7F4V
History
Create componentJul 2, 2021
Initial releaseApr 6, 2022
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)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
OpenEye OEToolkits 2.0.7CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

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SMILES CANONICAL

CACTVS 3.385CC(C)=CCC\C(C)=C\CCC(/C)=C/CCC(/C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
OpenEye OEToolkits 2.0.7CC1=C(C(=O)c2ccccc2C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

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InChI

InChI 1.03InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+

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InChIKey

InChI 1.03DKHGMERMDICWDU-GHDNBGIDSA-N

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PDB entries

Showing all 4 items

PDB-7f4v:
Cryo-EM structure of a primordial cyanobacterial photosystem I

PDB-9e0j:
Structure and evolution of Photosystem I in the early-branching cyanobacterium Anthocerotibacter panamensis

PDB-9l6q:
Vitamin K-dependent gamma-carboxylase in complex with Coagulation factor IX and vitamin K

PDB-9lb1:
Cryo-EM structure of the MK4-bound succinate dehydrogenase from Chloroflexus aurantiacus

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