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- ChemComp-IWJ: (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4... -

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Basic information

EntryDatabase: PDB chemical components / ID: IWJ
NameName: (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl- ...Name: (3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-1-[(1~{S},4~{S})-2,2-dimethyl-6-methylidene-1,4-bis(oxidanyl)cyclohexyl]-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-2-one
Synonyms: Prasinoxanthin

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Chemical information

Composition
Formula: C40H56O4 / Number of atoms: 100 / Formula weight: 600.87 / Formal charge: 0
Others

7yca

Type: non-polymer / PDB classification: HETAIN / Three letter code: IWJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7YCA
History
Create componentJul 21, 2022
Initial releaseApr 26, 2023
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(=CC=CC=C(C)C=CC=C(C)C(=O)C[C]1(O)C(=C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=CC(CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC2(C(=C)CC(CC2(C)C)O)O)C)C)(C)C)O

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SMILES CANONICAL

CACTVS 3.385CC(=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]1(O)C(=C)C[C@@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C(=C[C@H](O)CC2(C)C)C
OpenEye OEToolkits 2.0.7CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)C[C@]2(C(=C)C[C@H](CC2(C)C)O)O)/C)/C)(C)C)O

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InChI

InChI 1.06InChI=1S/C40H56O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-23,34-36,41-42,44H,6,24-27H2,1-5,7-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t34-,35+,36-,40+/m0/s1

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InChIKey

InChI 1.06WOJYJHBMWRNRJG-ITGJSFTBSA-N

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PDB entries

Showing all 5 items

PDB-7yca:
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri

PDB-8hg3:
Cryo-EM structure of the Lhcp complex from Ostreococcus tauri

PDB-8hg5:
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri

PDB-8hg6:
Cryo-EM structure of the prasinophyte-specific light-harvesting complex (Lhcp)from Ostreococcus tauri

PDB-9uc6:
Cryo-EM structure of the Lhcp trimer from Ostreococcus tauri at 1.94 angstrom resolution

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