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

Obsolete: 0AL

0AL was replaced with GPO on
Summary
Name:4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
Formula:C7 H15 O10 P
Formal charge:0
Formula weight:290.162 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-O-phosphono-D-glycero-beta-D-manno-heptopyranose
OpenEye OEToolkits1.5.0[(2R,3S,4R,5S,6R)-2-[(1R)-1,2-dihydroxyethyl]-4,5,6-trihydroxy-oxan-3-yl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChIInChI1.02bInChI=1/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1/f/h13-14H
InChIKeyInChI1.02bJDFMKMOMBHLESC-ZXGHKZRODH
SMILES_CANONICALCACTVS3.341OC[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O
SMILESCACTVS3.341OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O
SMILESOpenEye OEToolkits1.5.0C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon