TA8

POLYACRYLIC ACID

Created:	2011-11-08
Last modified:	2021-03-13

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2 entries where TA8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	3
Bond Count	37
Aromatic Bond Count	0

2D diagram of TA8

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Chemical Component Summary
Name	POLYACRYLIC ACID
Synonyms	OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(3S,5S,7S)-octane-1,3,5,7-tetracarboxylic acid
Formula	C₁₂ H₁₈ O₈
Molecular Weight	290.267
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C
SMILES	CACTVS	3.385	C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	C[C@@H](C[C@@H](C[C@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@@H](C[C@@H](C[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1
InChIKey	InChI	1.03	UEYGDIASMOPQFG-FXQIFTODSA-N

Related Resource References

Resource Name	Reference
PubChem	56587973

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.