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- ChemComp-L3P: 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHO... -

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Basic information

EntryDatabase: PDB chemical components / ID: L3P
NameName: 2,3-di-O-phytanly-3-sn-glycero-1-phosphoryl-3'-sn-glycerol-1'-phosphate

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Chemical information

Composition
Formula: C46H94O11P2 / Number of atoms: 153 / Formula weight: 885.179 / Formal charge: -2
Others

1dze

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L3P / Model coordinates PDB-ID: 1DZE
History
Create componentSep 22, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / 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 10.04[O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CACTVS 3.341CC(C)CCCC(C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH](C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

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SMILES CANONICAL

CACTVS 3.341CC(C)CCCC(C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P]([O-])(=O)OC[C@H](O)CO[P](O)([O-])=O)OCC[C@H](C)CCC[C@H](C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

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InChI

InChI 1.03InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-2/t39?,40?,41-,42-,43-,44-,45-,46+/m1/s1

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InChIKey

InChI 1.03TZXJQSKPTCRGCA-VZSPAKCESA-L

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2,3-bis{[(3R,7R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl (2R)-2-hydroxy-3-[(hydroxyphosphinato)oxy]propyl phosphate
OpenEye OEToolkits 1.5.0[(2R)-3-[[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propoxy]-oxido-phosphoryl]oxy-2-hydroxy-propyl] hydrogen phosphate

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