FLC

CITRATE ANION

Created:	1999-07-08
Last modified:	2011-06-04

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643 entries where FLC is found as a standalone ligand4 entries where FLC is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	-3
Atom Count	18
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	0

2D diagram of FLC

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Chemical Component Summary
Name	CITRATE ANION
Systematic Name (OpenEye OEToolkits)	2-hydroxypropane-1,2,3-tricarboxylate
Formula	C₆ H₅ O₇
Molecular Weight	189.1
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C([O-])CC(O)(C([O-])=O)CC(=O)[O-]
SMILES	CACTVS	3.341	OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
Canonical SMILES	CACTVS	3.341	OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
InChI	InChI	1.03	InChI=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
InChIKey	InChI	1.03	KRKNYBCHXYNGOX-UHFFFAOYSA-K

Related Resource References

Resource Name	Reference
PubChem	31348
ChEBI	CHEBI:16947
CCDC/CSD	FATTID04, FATTID, FUQFUS, CADJIA, FUQFUS01, DUTBIG01, FATTID02, FISREH, DUTBIG, CAHCIT

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