ADA

alpha-D-galactopyranuronic acid

Created:	2002-04-08
Last modified:	2020-07-17

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7 entries where ADA is found as a standalone ligand5 entries where ADA is covalently linked to polymer or other heterogen groups 41 entries where ADA is found in a branched oligosaccharide

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	5
Bond Count	23
Aromatic Bond Count	0

2D diagram of ADA

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Chemical Component Summary
Name	alpha-D-galactopyranuronic acid
Synonyms	alpha-D-galacturonic acid; D-galacturonic acid; galacturonic acid; ALPHA D-GALACTURONIC ACID
Systematic Name (OpenEye OEToolkits)	(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Formula	C₆ H₁₀ O₇
Molecular Weight	194.139
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1OC(O)C(O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C1(C(C(OC(C1O)O)C(=O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
InChIKey	InChI	1.03	AEMOLEFTQBMNLQ-BKBMJHBISA-N

Drug Info: DrugBank

DrugBank ID	DB03511
Name	alpha-D-galacturonic acid
Groups	experimental
Description	The α-anomer of D-galacturonic acid.
Synonyms	alpha-D-galacturonic acid alpha-D-galactopyranuronic acid α-D-galactopyranuronic acid α-D-galacturonic acid
CAS number	6294-16-2

Related Resource References

Resource Name	Reference
PubChem	445929
ChEBI	CHEBI:17309, CHEBI:33885, CHEBI:15446
CCDC/CSD	ODEKIR, ODEKIR01

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.