HCA

3-HYDROXY-3-CARBOXY-ADIPIC ACID

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

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77 entries where HCA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	23
Aromatic Bond Count	0

2D diagram of HCA

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Chemical Component Summary
Name	3-HYDROXY-3-CARBOXY-ADIPIC ACID
Systematic Name (OpenEye OEToolkits)	(2R)-2-hydroxybutane-1,2,4-tricarboxylic acid
Formula	C₇ H₁₀ O₇
Molecular Weight	206.15
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(O)(C(=O)O)CCC(=O)O
SMILES	CACTVS	3.341	OC(=O)CC[C](O)(CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CC(CC(=O)O)(C(=O)O)O)C(=O)O
Canonical SMILES	CACTVS	3.341	OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1
InChIKey	InChI	1.03	XKJVEVRQMLKSMO-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	439459
ChEBI	CHEBI:52222
CCDC/CSD	GOGRIE

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