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- ChemComp-L2P: 2,3-DI-PHYTANYL-GLYCEROL -

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Basic information

EntryDatabase: PDB chemical components / ID: L2P
NameName: 2,3-di-phytanyl-glycerol
Synonyms: 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL

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Chemical information

Composition
Formula: C43H88O3 / Number of atoms: 134 / Formula weight: 653.157 / Formal charge: 0
Others

1dze

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: L2P / Model coordinates PDB-ID: 1DZE
History
Create componentSep 22, 1999
Modify descriptorJun 4, 2011
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / 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

ACDLabs 10.04OCC(OCCC(CCCC(CCCC(C)CCCC(C)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)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(CO)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)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](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

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InChI

InChI 1.03InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1

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InChIKey

InChI 1.03ISDBCJSGCHUHFI-UMZPFTBHSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
OpenEye OEToolkits 1.5.0(2R)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propan-1-ol

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