ADA

alpha-D-galactopyranuronic acid

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

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count5
Bond Count23
Aromatic Bond Count0
2D diagram of ADA

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Chemical Component Summary

Namealpha-D-galactopyranuronic acid
Synonymsalpha-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
FormulaC6 H10 O7
Molecular Weight194.139
TypeD-SACCHARIDE, ALPHA LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C1OC(O)C(O)C(O)C1O
SMILESCACTVS3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
SMILESOpenEye OEToolkits1.5.0C1(C(C(OC(C1O)O)C(=O)O)O)O
Canonical SMILESCACTVS3.341 O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 [C@@H]1([C@H]([C@H](O[C@@H]([C@@H]1O)O)C(=O)O)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 AEMOLEFTQBMNLQ-BKBMJHBISA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03511 
Namealpha-D-galacturonic acid
Groups experimental
DescriptionThe α-anomer of D-galacturonic acid.
Synonyms
  • alpha-D-galactopyranuronic acid
  • α-D-galactopyranuronic acid
  • α-D-galacturonic acid
  • alpha-D-galacturonic acid
CAS number6294-16-2

Related Resource References

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