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

YO5

Summary
Name:(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
Synonyms:Beta-1 phosphonomethylene-D-glucopyranose
Formula:C7 H15 O8 P
Formal charge:0
Formula weight:258.163 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
OpenEye OEToolkits1.9.2[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]methylphosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)CC1OC(C(O)C(O)C1O)CO
InChIInChI1.03InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6+,7+/m1/s1
InChIKeyInChI1.03XRMRHVWWWWFMKR-UOYQFSTFSA-N
SMILES_CANONICALCACTVS3.385OC[C@H]1O[C@@H](C[P](O)(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
SMILESCACTVS3.385OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CP(=O)(O)O)O)O)O)O
SMILESOpenEye OEToolkits1.9.2C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)O

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon