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- ChemComp-6PH: (1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate -

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Basic information

EntryDatabase: PDB chemical components / ID: 6PH
NameName: (1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
Synonyms: PHOSPHATIDIC ACID

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Chemical information

Composition
Formula: C31H61O8P / Number of atoms: 101 / Formula weight: 592.785 / Formal charge: 0
Others

3cx5

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6PH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3CX5
History
Create componentApr 30, 2008
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / LipidMaps / NMRShiftDB / PubChem / 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

ACDLabs 10.04O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)O
CACTVS 3.341CCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)O

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)O

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InChI

InChI 1.03InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-17-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1

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InChIKey

InChI 1.03UOOPRMYYAWVCCZ-GDLZYMKVSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R)-2-(phosphonooxy)-1-[(tridecanoyloxy)methyl]ethyl pentadecanoate
OpenEye OEToolkits 1.5.0[(2R)-1-phosphonooxy-3-tridecanoyloxy-propan-2-yl] pentadecanoate

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PDB entries

Showing all 4 items

PDB-3cx5:
Structure of complex III with bound cytochrome c in reduced state and definition of a minimal core interface for electron transfer.

PDB-3cxh:
Structure of yeast complex III with isoform-2 cytochrome c bound and definition of a minimal core interface for electron transfer.

PDB-6giq:
Saccharomyces cerevisiae respiratory supercomplex III2IV

PDB-6ymx:
CIII2/CIV respiratory supercomplex from Saccharomyces cerevisiae

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