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- ChemComp-EYR: (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22... -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: EYR
NameName: (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene

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Chemical information

Composition
Formula: C40H68 / Number of atoms: 108 / Formula weight: 548.968 / Formal charge: 0
Others

6m0r

Type: non-polymer / PDB classification: HETAIN / Three letter code: EYR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6M0R
History
Create componentFeb 26, 2020
Initial releaseNov 4, 2020
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[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
OpenEye OEToolkits 2.0.7CCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

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SMILES CANONICAL

CACTVS 3.385CC[C@@H](C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 2.0.7CC[C@@H](C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

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InChI

InChI 1.03InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1

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InChIKey

InChI 1.03NNAMSNGZQLVMQY-GAPQENEMSA-N

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PDB entries

Showing all 1 items

PDB-6m0r:
2.7A Yeast Vo state3

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