(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

PubChem CID: 84740

Connections displayed (default: 10).

Loading graph...

ℹ️ Click here to know more about the properties

Compound Synonyms	685-73-4, 14982-50-4, DL-Galacturonic acid, (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid, 2ENU0N1DRP, 4JK6RN80GF, Galacturonic acid, D-, D-Galacturonic acid monohydrate, Polygalacturonic Acid (Technical Grade), UNII-VV3XD4CL04, NSC-212542, DL-Galacturonicacid, DGU, Anhydrogalacturonic acid, D-GALACTURONICACID, SCHEMBL6457, aldehydo-D-galacturonic acid, VV3XD4CL04, D-Galacturonic acid, anhydro-, GALACTURONIC ACID, DL-, CHEBI:47962, D-GALACTURONIC ACID [MI], DTXSID00873872, MSK3246, NSC 4063, AKOS040763718, 1ST3246, MG106395, NS00086708, D-[UL-13C6]Galacturonic acid potassium salt, G73507, Q422729, 594208B9-401C-4893-9727-674A8B6D6A89, 34150-36-2
Topological Polar Surface Area	135.0
Hydrogen Bond Donor Count	5.0
Heavy Atom Count	13.0
Description	Galacturonic acid, also known as D-galacturonate or (2s,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexanoate, belongs to glucuronic acid derivatives class of compounds. Those are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Galacturonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Galacturonic acid can be found in a number of food items such as sunflower, white mustard, okra, and date, which makes galacturonic acid a potential biomarker for the consumption of these food products. Galacturonic acid can be found primarily in feces. Galacturonic acid exists in all living species, ranging from bacteria to humans. D-Galacturonic acid is a sugar acid, an oxidized form of D-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. In its open form, it has an aldehyde group at C1 and a carboxylic acid group at C6. Other oxidized forms of D-galactose are D-galactonic acid (carboxylic group at C1) and meso-galactaric acid (mucic acid) (carboxylic groups at C1 and C6). It is also a uronic acid or hexuronic acid. Naturally occurring uronic acids are D-glucuronic acid, D-galacturonic acid, L-iduronic acid and D-mannuronic acid .
Isotope Atom Count	0.0
Molecular Complexity	191.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count	4.0
Uniprot Id	P06133, P22310, P16662, P22309, O60656, P19224
Iupac Name	(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Prediction Hob	0.0
Class	Organooxygen compounds
Xlogp	-2.6
Superclass	Organic oxygen compounds
Subclass	Carbohydrates and carbohydrate conjugates
Molecular Formula	C6H10O7
Prediction Swissadme	0.0
Inchi Key	IAJILQKETJEXLJ-RSJOWCBRSA-N
Fcsp3	0.6666666666666666
Logs	-0.15
Rotatable Bond Count	5.0
State	Solid
Logd	-1.799
Synonyms	(2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid, D-Galacturonic acid, (2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoate, D-Galacturonate, Galacturonate, DL-Galacturonic acid, D-Galactopyranuronic acid, Galacturonic acid, (D)-isomer, Galacturonic acid, (alpha-D)-isomer, Galacturonic acid, calcium, sodium salt, (D)-isomer, Galacturonic acid, monosodium salt, (D)-isomer, Aldehydo-D-galacturonate, Polygalacturonic acid, aluminum salt, Sodium pectate, Galacturonan, Homogalacturonan, Pectic acid, Polygalacturonic acid homopolymer, Polygalacturonic acid, sulfated, Calcium polygalacturonate, Pectate, Polygalacturonic acid, Polygalacturonic acid, calcium salt, Polygalacturonic acid, homopolymer sodium salt, Sodium polygalacturonate, Anhydrogalacturonic acid, Calcium pectate, Polygalacturonic acid, homopolymer (D)-isomer, Aldehydo-D-galacturonic acid, (DL)-Galacturonic acid, (D)-Galacturonic acid, Galacturonic acid
Compound Name	(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	194.043
Formal Charge	0.0
Monoisotopic Mass	194.043
Hydrogen Bond Acceptor Count	7.0
Molecular Weight	194.14
Covalent Unit Count	1.0
Total Atom Stereocenter Count	4.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic acyclic compounds
Esol	0.9054381999999999
Inchi	InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
Smiles	C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
Nring	0.0
Defined Bond Stereocenter Count	0.0
Taxonomy Direct Parent	Glucuronic acid derivatives

1. Outgoing r'ship FOUND_IN to/from Abelmoschus Esculentus (Plant) Rel Props:Source_db:fooddb_chem_all
2. Outgoing r'ship FOUND_IN to/from Aconitum Gigas (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
4. Outgoing r'ship FOUND_IN to/from Angelica Anomala (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Angelica Archangelica (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Angelica Cyclocarpa (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Angelica Dahurica (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Angelica Decursiva (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Angelica Furcijuga (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Angelica Genuflexa (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
12. Outgoing r'ship FOUND_IN to/from Angelica Glabra (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Angelica Glauca (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Angelica Hirsutiflora (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Angelica Japonica (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Angelica Keiskei (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Angelica Lucida (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Angelica Nubigena (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Angelica Officinalis (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Angelica Pachycarpa (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Angelica Pubescens (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Angelica Saxatilis (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
24. Outgoing r'ship FOUND_IN to/from Angelica Sylvestris (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Angelica Taiwaniana (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Angelica Talwaniana (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Angelica Tarokoensis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Angelica Tenuissima (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Angelica Ursina (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all
31. Outgoing r'ship FOUND_IN to/from Aquilaria Sinensis (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Bretschneidera Sinensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Camellia Sinensis (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Cephalotaxus Sinensis (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Chaenomeles Sinensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Citrus Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all
37. Outgoing r'ship FOUND_IN to/from Cordia Sinensis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Cordyceps Sinensis (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Cryptolepis Sinensis (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Diphylleia Sinensis (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Dolichos Sinensis (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Entada Gigas (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Ficus Carica (Plant) Rel Props:Source_db:fooddb_chem_all
44. Outgoing r'ship FOUND_IN to/from Gleditsia Sinensis (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all
46. Outgoing r'ship FOUND_IN to/from Hibiscus Sabdariffa (Plant) Rel Props:Source_db:fooddb_chem_all
47. Outgoing r'ship FOUND_IN to/from Incarvillea Sinensis (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Juglans Sinensis (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Linum Album (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Linum Catharticum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Linum Crispum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Linum Perenne (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
54. Outgoing r'ship FOUND_IN to/from Macaranga Sinensis (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Miliusa Sinensis (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Miscanthus Sinensis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Momordica Charantia (Plant) Rel Props:Source_db:fooddb_chem_all
58. Outgoing r'ship FOUND_IN to/from Neottia Sinensis (Plant) Rel Props:Reference:
59. Outgoing r'ship FOUND_IN to/from Nyssa Sinensis (Plant) Rel Props:Reference:
60. Outgoing r'ship FOUND_IN to/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all
61. Outgoing r'ship FOUND_IN to/from Phoenix Dactylifera (Plant) Rel Props:Source_db:fooddb_chem_all
62. Outgoing r'ship FOUND_IN to/from Photinia Bodinieri (Plant) Rel Props:Reference:
63. Outgoing r'ship FOUND_IN to/from Photinia Serratifolia (Plant) Rel Props:Reference:
64. Outgoing r'ship FOUND_IN to/from Pogostemon Auricularis (Plant) Rel Props:Reference:
65. Outgoing r'ship FOUND_IN to/from Pogostemon Auricularius (Plant) Rel Props:Reference:
66. Outgoing r'ship FOUND_IN to/from Pogostemon Benghalense (Plant) Rel Props:Reference:
67. Outgoing r'ship FOUND_IN to/from Pogostemon Benghalensis (Plant) Rel Props:Reference:
68. Outgoing r'ship FOUND_IN to/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
69. Outgoing r'ship FOUND_IN to/from Pogostemon Heyneanus (Plant) Rel Props:Reference:
70. Outgoing r'ship FOUND_IN to/from Pogostemon Paniculatus (Plant) Rel Props:Reference:
71. Outgoing r'ship FOUND_IN to/from Pogostemon Parviflorus (Plant) Rel Props:Reference:
72. Outgoing r'ship FOUND_IN to/from Pogostemon Patchouli (Plant) Rel Props:Reference:
73. Outgoing r'ship FOUND_IN to/from Pogostemon Plectranthoides (Plant) Rel Props:Reference:
74. Outgoing r'ship FOUND_IN to/from Pogostemon Pubescens (Plant) Rel Props:Reference:
75. Outgoing r'ship FOUND_IN to/from Pogostemon Purpurascens (Plant) Rel Props:Reference:
76. Outgoing r'ship FOUND_IN to/from Pogostemon Rugosus (Plant) Rel Props:Reference:
77. Outgoing r'ship FOUND_IN to/from Pogostemon Stellatus (Plant) Rel Props:Reference:
78. Outgoing r'ship FOUND_IN to/from Pogostemon Vestitus (Plant) Rel Props:Reference:
79. Outgoing r'ship FOUND_IN to/from Prunus Cerasus (Plant) Rel Props:Source_db:fooddb_chem_all
80. Outgoing r'ship FOUND_IN to/from Pseudotsuga Sinensis (Plant) Rel Props:Reference:
81. Outgoing r'ship FOUND_IN to/from Saccharum Sinensis (Plant) Rel Props:Reference:
82. Outgoing r'ship FOUND_IN to/from Scopolia Sinensis (Plant) Rel Props:Reference:
83. Outgoing r'ship FOUND_IN to/from Selaginella Sinensis (Plant) Rel Props:Reference:
84. Outgoing r'ship FOUND_IN to/from Sinapis Alba (Plant) Rel Props:Source_db:fooddb_chem_all
85. Outgoing r'ship FOUND_IN to/from Spiranthes Sinensis (Plant) Rel Props:Reference:
86. Outgoing r'ship FOUND_IN to/from Tamarindus Indica (Plant) Rel Props:Source_db:fooddb_chem_all
87. Outgoing r'ship FOUND_IN to/from Theobroma Cacao (Plant) Rel Props:Source_db:fooddb_chem_all
88. Outgoing r'ship FOUND_IN to/from Tinospora Sinensis (Plant) Rel Props:Reference:
89. Outgoing r'ship FOUND_IN to/from Toona Sinensis (Plant) Rel Props:Reference:
90. Outgoing r'ship FOUND_IN to/from Uncaria Sinensis (Plant) Rel Props:Reference:
91. Outgoing r'ship FOUND_IN to/from Vitis Vinifera (Plant) Rel Props:Source_db:fooddb_chem_all
92. Outgoing r'ship FOUND_IN to/from Wisteria Sinensis (Plant) Rel Props:Reference:

Back to Browse Back to Home

GRAYU Website

Grayu

(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid

Graph

Phytochemical Properties

Associated Connections 92

Plant Connections 92