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- ChemComp-0IE: Siphonaxanthin -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 0IE
NameName: Siphonaxanthin

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Chemical information

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

7wlm

Type: non-polymer / PDB classification: HETAIN / Three letter code: 0IE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7WLM
History
Create componentJan 21, 2022
Initial releaseNov 23, 2022
External linksUniChem / ChemSpider / ChEMBL / LipidMaps / Nikkaji / PubChem / PubChem_TPharma / 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 3.385CC1=C(CC(=O)C(CO)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[CH]2C(=C[CH](O)CC2(C)C)C)C(C)(C)C[CH](O)C1
OpenEye OEToolkits 2.0.7CC1=C(C(CC(C1)O)(C)C)CC(=O)C(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)CO

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SMILES CANONICAL

CACTVS 3.385CC1=C(CC(=O)/C(CO)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(=C[C@H](O)CC2(C)C)C)C(C)(C)C[C@H](O)C1
OpenEye OEToolkits 2.0.7CC1=C(C(C[C@@H](C1)O)(C)C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/CO

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InChI

InChI 1.03InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-22,34-36,41-43H,23-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+,36-/m0/s1

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InChIKey

InChI 1.03SUCKEYMKNGZJHK-ZARIWKGHSA-N

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PDB entries

Showing all 6 items

PDB-7wlm:
The Cryo-EM structure of siphonaxanthin chlorophyll a/b type light-harvesting complex II

PDB-8hlv:
Bry-LHCII homotrimer of Bryopsis corticulans

PDB-8hpd:
Bry-LHCII heterotrimer of Bryopsis corticulans

PDB-8hq8:
Bry-LHCII homotrimer of Bryopsis corticulans

PDB-9jzr:
Structure of PSI-LHCI-LHCII supercomplex from Bryopsis corticulans

PDB-9k7v:
Structural insights into photosystem II supercomplex of a a siphonous green algae Bryopsis corticulans from intertidal zone

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