X15

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Summary

Name:1,3-BISPHOSPHOGLYCERIC ACID
Formula:C3 H8 O10 P2
Formal charge:0
Molecular weight:266.037 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-hydroxy-1-oxopropane-1,3-diyl bis[dihydrogen (phosphate)]
OpenEye OEToolkits1.6.1phosphono (2R)-2-hydroxy-3-phosphonooxy-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(=O)OP(=O)(O)O
SMILES_CANONICALCACTVS3.352O[C@H](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
SMILESCACTVS3.352O[CH](CO[P](O)(O)=O)C(=O)O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.6.1C([C@H](C(=O)OP(=O)(O)O)O)OP(=O)(O)O
SMILESOpenEye OEToolkits1.6.1C(C(C(=O)OP(=O)(O)O)O)OP(=O)(O)O
InChIInChI1.03InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKeyInChI1.03LJQLQCAXBUHEAZ-UWTATZPHSA-N