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- ChemComp-V7N: (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{... -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: V7N
NameName: (2~{E},4~{E},6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{Z},24~{E},26~{E},28~{E})-23-methanoyl-31-methoxy-2,6,10,14,19,27,31-heptamethyl-dotriaconta-2,4,6,10,12,14,16,18,20,22,24,26,28-tridecaenoic acid

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Chemical information

Composition
Formula: C41H54O4 / Number of atoms: 99 / Formula weight: 610.865 / Formal charge: 0
Others

7o0u

Type: non-polymer / PDB classification: HETAIN / Three letter code: V7N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7O0U
History
Create componentApr 23, 2021
Other modificationJun 9, 2021
Initial releaseMar 2, 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 3.385COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)C=CC=C(C)C(O)=O
OpenEye OEToolkits 2.0.7CC(=CC=CC(=CC=CC=C(C)C=CC=C(C=CC=C(C)C=CCC(C)(C)OC)C=O)C)CCC=C(C)C=CC=C(C)C(=O)O

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SMILES CANONICAL

CACTVS 3.385COC(C)(C)C/C=C/C(C)=C/C=C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/CC/C=C(C)/C=C/C=C(C)/C(O)=O
OpenEye OEToolkits 2.0.7C/C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(\C=C\C=C(/C)\C=C\CC(C)(C)OC)/C=O)\C)/CC/C=C(\C)/C=C/C=C(\C)/C(=O)O

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InChI

InChI 1.03InChI=1S/C41H54O4/c1-33(20-12-21-35(3)22-13-23-36(4)24-14-28-38(6)40(43)44)18-10-11-19-34(2)25-15-29-39(32-42)30-16-26-37(5)27-17-31-41(7,8)45-9/h10-12,14-21,23-30,32H,13,22,31H2,1-9H3,(H,43,44)/b11-10+,20-12+,24-14+,25-15+,27-17+,30-16+,33-18+,34-19+,35-21+,36-23+,37-26+,38-28+,39-29-

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InChIKey

InChI 1.03XLPMAXZHNMJTID-YBNWOPDJSA-N

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PDB entries

Showing all 4 items

PDB-7o0u:
Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A

PDB-7o0v:
Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A

PDB-7o0w:
Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A

PDB-7o0x:
Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A

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