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

Y2A

Summary
Name:(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
Formula:C6 H9 O10 P
Formal charge:0
Formula weight:272.103 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid
OpenEye OEToolkits2.0.7(2~{S})-2-oxidanyl-2-(2-oxidanylidene-2-phosphonooxy-ethyl)butanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C(CC(=O)OP(O)(O)=O)(C(=O)O)O)C(O)=O
InChIInChI1.03InChI=1S/C6H9O10P/c7-3(8)1-6(12,5(10)11)2-4(9)16-17(13,14)15/h12H,1-2H2,(H,7,8)(H,10,11)(H2,13,14,15)/t6-/m0/s1
InChIKeyInChI1.03RAAPFOXFYNTKEB-LURJTMIESA-N
SMILES_CANONICALCACTVS3.385OC(=O)C[C@](O)(CC(=O)O[P](O)(O)=O)C(O)=O
SMILESCACTVS3.385OC(=O)C[C](O)(CC(=O)O[P](O)(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C(C(=O)O)[C@](CC(=O)OP(=O)(O)O)(C(=O)O)O
SMILESOpenEye OEToolkits2.0.7C(C(=O)O)C(CC(=O)OP(=O)(O)O)(C(=O)O)O

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon