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- ChemComp-L1P: 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL -

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Basic information

EntryDatabase: PDB chemical components / ID: L1P
NameName: 3-phosphoryl-[1,2-di-phytanyl]glycerol
Synonyms: 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE

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Chemical information

Composition
Formula: C43H89O6P / Number of atoms: 139 / Formula weight: 733.137 / Formal charge: 0
Others

1qm8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L1P / Model coordinates PDB-ID: 1QM8
History
Create componentSep 22, 1999
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
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

ACDLabs 10.04O=P(O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C

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SMILES CANONICAL

CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P](O)(O)=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](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](COP(=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/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1

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InChIKey

InChI 1.03UKQGAMWGTOTQPC-ALOLAALWSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate
OpenEye OEToolkits 1.5.0[(2S)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propyl] dihydrogen phosphate

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PDB entries

Showing all 6 items

PDB-1dze:
Structure of the M Intermediate of Bacteriorhodopsin trapped at 100K

PDB-1qm8:
Structure of Bacteriorhodopsin at 100 K

PDB-2zfe:
Crystal structure of bacteriorhodopsin-xenon complex

PDB-2zzl:
Structure of bacteriorhodopsin's M intermediate at pH 7

PDB-3a7k:
Crystal structure of halorhodopsin from Natronomonas pharaonis

PDB-7tol:
X-ray crystal structure of glycerol dibiphytanyl glycerol tetraether - macrocyclic archaeol synthase (GDGT-MAS) from Methanocaldococcus jannaschii with archaeal lipid, 5'deoxyadenosine, and methionine bound

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