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Obsolete: PAG

PAG was replaced with 2PG on
Summary
Name:2-PHOSPHO-D-GLYCERIC ACID
Formula:C3 H7 O7 P
Formal charge:0
Formula weight:186.057 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-3-hydroxy-2-(phosphonooxy)propanoic acid
OpenEye OEToolkits1.5.0(2R)-3-hydroxy-2-phosphonooxy-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OC(C(=O)O)CO
InChIInChI1.02bInChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1/f/h5,7-8H
InChIKeyInChI1.02bGXIURPTVHJPJLF-SFISFHFCDD
SMILES_CANONICALCACTVS3.341OC[C@@H](O[P](O)(O)=O)C(O)=O
SMILESCACTVS3.341OC[CH](O[P](O)(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C([C@H](C(=O)O)OP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0C(C(C(=O)O)OP(=O)(O)O)O

223790

數據於2024-08-14公開中

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