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- ChemComp-H4X: (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~... -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: H4X
NameName: (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene

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Chemical information

Composition
Formula: C42H64O2 / Number of atoms: 108 / Formula weight: 600.956 / Formal charge: 0
Others

7c9r

Type: non-polymer / PDB classification: HETAIN / Three letter code: H4X / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7C9R
History
Create componentJun 10, 2020
Initial releaseOct 7, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / KEGG_Ligand / LipidMaps / NMRShiftDB / Nikkaji / PubChem / 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

CACTVS 3.385COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC
OpenEye OEToolkits 2.0.7CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC)C)C)CCCC(C)(C)OC

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SMILES CANONICAL

CACTVS 3.385COC(C)(C)CCC\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)OC
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(\CCCC(OC)(C)C)/C)/C)/C)\C)\C)/CCCC(OC)(C)C

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InChI

InChI 1.03InChI=1S/C42H64O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-18,21-30H,19-20,31-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+

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InChIKey

InChI 1.03LCTIOHZQWXQPIB-VYCPWLLESA-N

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PDB entries

Showing all 1 items

PDB-7c9r:
STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF THIORHODOVIBRIO STRAIN 970

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