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- ChemComp-P3H: [(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3... -

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Basic information

EntryDatabase: PDB chemical components / ID: P3H
NameName: [(2~{R})-1-nonanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z})-heptadeca-5,8-dienoate

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Chemical information

Composition
Formula: C35H63O13P / Number of atoms: 112 / Formula weight: 722.841 / Formal charge: 0
Others

6sl5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: P3H / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6SL5
History
Create componentSep 20, 2019
Initial releaseJun 24, 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 3.385CCCCCCCCC=CCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7CCCCCCCCC=CCC=CCCCC(=O)OC(COC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCC\C=C/C\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCC)CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 2.0.7CCCCCCCC/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCC)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O

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InChI

InChI 1.03InChI=1S/C35H63O13P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-29(37)47-27(25-45-28(36)23-21-19-10-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h14-15,17-18,27,30-35,38-42H,3-13,16,19-26H2,1-2H3,(H,43,44)/b15-14-,18-17-/t27-,30-,31-,32+,33-,34-,35-/m1/s1

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InChIKey

InChI 1.03YESDZPSNSSEMJX-BCWHKXFCSA-N

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PDB entries

Showing all 1 items

PDB-6sl5:
Dunaliella Photosystem I Supercomplex

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