Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

R2B

Summary
Name:1,4-anhydro-D-erythro-pent-1-enitol
Formula:C5 H8 O4
Formal charge:0
Formula weight:132.115 Da
Component type:D-saccharide

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,4-anhydro-D-erythro-pent-1-enitol
OpenEye OEToolkits1.7.0(2R,3R)-2-(hydroxymethyl)-2,3-dihydrofuran-3,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC1=COC(CO)C1O
SMILES_CANONICALCACTVS3.370OC[C@H]1OC=C(O)[C@@H]1O
SMILESCACTVS3.370OC[CH]1OC=C(O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.0C1=C([C@@H]([C@H](O1)CO)O)O
SMILESOpenEye OEToolkits1.7.0C1=C(C(C(O1)CO)O)O
InChIInChI1.03InChI=1S/C5H8O4/c6-1-4-5(8)3(7)2-9-4/h2,4-8H,1H2/t4-,5+/m1/s1
InChIKeyInChI1.03WGCMRWDTTZWXPL-UHNVWZDZSA-N

227344

PDB entries from 2024-11-13

PDB statisticsPDBj update infoContact PDBjnumon