Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BXC

Summary
Name:(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside
Formula:C25 H50 O5
Formal charge:0
Formula weight:430.662 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside
OpenEye OEToolkits1.7.0(2S,3R,4R,5R)-2-[(3R,7R,11R)-3,7,11,15-tetramethylhexadecoxy]oxane-3,4,5-triol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)C1OCC(O)C(O)C1O
SMILES_CANONICALCACTVS3.370CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
SMILESCACTVS3.370CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCO[CH]1OC[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O
SMILESOpenEye OEToolkits1.7.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC1C(C(C(CO1)O)O)O
InChIInChI1.03InChI=1S/C25H50O5/c1-18(2)9-6-10-19(3)11-7-12-20(4)13-8-14-21(5)15-16-29-25-24(28)23(27)22(26)17-30-25/h18-28H,6-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25+/m1/s1
InChIKeyInChI1.03ZSTFWXWLAGSUTP-RJQIIPCNSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon