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L2P

Summary
Name:2,3-DI-PHYTANYL-GLYCEROL
Synonyms:1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
Formula:C43 H88 O3
Formal charge:0
Formula weight:653.157 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol
OpenEye OEToolkits1.5.0(2R)-2,3-bis[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]propan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
SMILES_CANONICALCACTVS3.341CC(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
SMILESCACTVS3.341CC(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
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(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
SMILESOpenEye OEToolkits1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI1.03InChI=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
InChIKeyInChI1.03ISDBCJSGCHUHFI-UMZPFTBHSA-N

218853

PDB entries from 2024-04-24

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