CH5

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Summary

Name:2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM
Synonyms:GLYCERO-3-PHOSPHOCHOLINE
Formula:C8 H21 N O6 P
Formal charge:1
Molecular weight:258.229 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium
OpenEye OEToolkits1.5.02-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(OCC(O)CO)(OCC[N+](C)(C)C)O
SMILES_CANONICALCACTVS3.341C[N+](C)(C)CCO[P@@](O)(=O)OC[C@H](O)CO
SMILESCACTVS3.341C[N+](C)(C)CCO[P](O)(=O)OC[CH](O)CO
SMILES_CANONICALOpenEye OEToolkits1.5.0C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)O
SMILESOpenEye OEToolkits1.5.0C[N+](C)(C)CCOP(=O)(O)OCC(CO)O
InChIInChI1.03InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1
InChIKeyInChI1.03SUHOQUVVVLNYQR-MRVPVSSYSA-O
170172
PDB entries from 2020-10-21