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HPF

Summary
Name:1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE
Formula:C9 H14 N O7 P
Formal charge:0
Formula weight:279.184 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3R)-2,3-dihydroxy-3-[(2-hydroxyphenyl)amino]propyl dihydrogen phosphate
OpenEye OEToolkits1.5.0[(2R,3R)-2,3-dihydroxy-3-[(2-hydroxyphenyl)amino]propyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)C(O)Nc1ccccc1O
SMILES_CANONICALCACTVS3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)Nc1ccccc1O
SMILESCACTVS3.341O[CH](CO[P](O)(O)=O)[CH](O)Nc1ccccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)NC(C(COP(=O)(O)O)O)O)O
InChIInChI1.03InChI=1S/C9H14NO7P/c11-7-4-2-1-3-6(7)10-9(13)8(12)5-17-18(14,15)16/h1-4,8-13H,5H2,(H2,14,15,16)/t8-,9-/m1/s1
InChIKeyInChI1.03SPOVITMZOKMJPQ-RKDXNWHRSA-N

221051

PDB entries from 2024-06-12

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