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TD4

Summary
Name:4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
Formula:C6 H15 N O10 P2
Formal charge:0
Formula weight:323.132 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate
OpenEye OEToolkits1.7.0[2-[hydroxy(4-phosphonooxybutyl)amino]-2-oxo-ethyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P(O)(O)OCC(=O)N(O)CCCCOP(=O)(O)O
SMILES_CANONICALCACTVS3.370ON(CCCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O
SMILESCACTVS3.370ON(CCCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.7.0C(CCOP(=O)(O)O)CN(C(=O)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C6H15NO10P2/c8-6(5-17-19(13,14)15)7(9)3-1-2-4-16-18(10,11)12/h9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyInChI1.03GZQWGEFAYHQQKX-UHFFFAOYSA-N

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PDB entries from 2024-07-31

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