ICT

ISOCITRIC ACID

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

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50 entries where ICT is found as a standalone ligand1 entries where ICT is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	2
Bond Count	20
Aromatic Bond Count	0

2D diagram of ICT

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Chemical Component Summary
Name	ISOCITRIC ACID
Systematic Name (OpenEye OEToolkits)	(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid
Formula	C₆ H₈ O₇
Molecular Weight	192.124
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(CC(=O)O)C(O)C(=O)O
SMILES	CACTVS	3.341	O[CH]([CH](CC(O)=O)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(C(=O)O)O)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	O[C@H]([C@H](CC(O)=O)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H]([C@H](C(=O)O)O)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1
InChIKey	InChI	1.03	ODBLHEXUDAPZAU-ZAFYKAAXSA-N

Related Resource References

Resource Name	Reference
PubChem	5318532
ChEMBL	CHEMBL390356
ChEBI	CHEBI:151

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