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

2P0

Summary
Name:1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline
Synonyms:diphosphoglycolylproline
Formula:C7 H13 N O10 P2
Formal charge:0
Formula weight:333.126 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline
OpenEye OEToolkits1.7.0(2S)-1-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethanoyl]pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O
SMILES_CANONICALCACTVS3.370OC(=O)[C@@H]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O
SMILESCACTVS3.370OC(=O)[CH]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.0C1CC(N(C1)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O
InChIInChI1.03InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1
InChIKeyInChI1.03JFTJDUMMWOSHFL-YFKPBYRVSA-N

221716

PDB entries from 2024-06-26

PDB statisticsPDBj update infoContact PDBjnumon