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

X9W

Summary
Name:(2R)-(dimethylphosphoryl)(hydroxy)acetic acid
Formula:C4 H9 O4 P
Formal charge:0
Formula weight:152.086 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-(dimethylphosphoryl)(hydroxy)acetic acid
OpenEye OEToolkits2.0.7(2~{R})-2-dimethylphosphoryl-2-oxidanyl-ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(O)P(C)(C)=O
InChIInChI1.06InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1
InChIKeyInChI1.06UTDPHALOLFEIHB-SCSAIBSYSA-N
SMILES_CANONICALCACTVS3.385C[P](C)(=O)[C@@H](O)C(O)=O
SMILESCACTVS3.385C[P](C)(=O)[CH](O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CP(=O)(C)[C@H](C(=O)O)O
SMILESOpenEye OEToolkits2.0.7CP(=O)(C)C(C(=O)O)O

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon