O1B

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Summary

Name:(2R,3R,4S)-5-((2-aminoethyl)amino)-2,3,4-trihydroxy-5-oxopentyl dihydrogen phosphate
Formula:C7 H17 N2 O8 P
Formal charge:0
Molecular weight:288.192 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{R},3~{R},4~{S})-5-(2-azanylethylamino)-2,3,4-tris(oxidanyl)-5-oxidanylidene-pentyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C7H17N2O8P/c8-1-2-9-7(13)6(12)5(11)4(10)3-17-18(14,15)16/h4-6,10-12H,1-3,8H2,(H,9,13)(H2,14,15,16)/t4-,5-,6+/m1/s1
InChIKeyInChI1.03FUFPHFARIIPLRI-PBXRRBTRSA-N
SMILES_CANONICALCACTVS3.385NCCNC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
SMILESCACTVS3.385NCCNC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C(CNC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N
SMILESOpenEye OEToolkits2.0.7C(CNC(=O)C(C(C(COP(=O)(O)O)O)O)O)N
167518
PDB entries from 2020-08-12