FLC

Summary
Name:CITRATE ANION
Formula:C6 H5 O7
Formal charge:-3
Formula weight:189.1 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-hydroxypropane-1,2,3-tricarboxylate
OpenEye OEToolkits1.5.02-hydroxypropane-1,2,3-tricarboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
SMILES_CANONICALCACTVS3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
SMILESCACTVS3.341OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
SMILESOpenEye OEToolkits1.5.0C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
InChIInChI1.03InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
InChIKeyInChI1.03KRKNYBCHXYNGOX-UHFFFAOYSA-K

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PDB entries from 2021-06-16