6PG

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Summary

Name:6-PHOSPHOGLUCONIC ACID
Formula:C6 H13 O10 P
Formal charge:0
Molecular weight:276.135 Da
Component type:D-SACCHARIDE

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-O-phosphono-D-gluconic acid
OpenEye OEToolkits1.5.0(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxy-hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)C(O)C(O)C(=O)O
SMILES_CANONICALCACTVS3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
SMILESCACTVS3.341O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(C(C(C(=O)O)O)O)O)O)OP(=O)(O)O
InChIInChI1.03InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1
InChIKeyInChI1.03BIRSGZKFKXLSJQ-SQOUGZDYSA-N
169963
PDB entries from 2020-10-14