CHEBI:27450 - 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid
ChEBI ID CHEBI:27450
ChEBI ASCII Name 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:28551, CHEBI:20289, CHEBI:1767, CHEBI:20290, CHEBI:1769
Supplier Information
Download Molfile XML SDF
Formula C12H16O12
Net Charge 0
Average Mass 352.24820
Monoisotopic Mass 352.06418
InChI InChI=1S/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)/t2-,4+,5+,6+,7+,8-,11?,12+/m0/s1
InChIKey LLVVMXFNKAHVEZ-GAWNPARCSA-N
SMILES OC1O[C@@H]([C@H](O[C@H]2OC(=C[C@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H]1O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:27450) is a 4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:35333)
4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:27450) is conjugate acid of 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonate(2−) (CHEBI:60189)
Incoming 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonate(2−) (CHEBI:60189) is conjugate base of 4-(4-deoxy-α-D-gluc-4-enosyluronic acid)-D-galacturonic acid (CHEBI:27450)
IUPAC Name
4-O-(4-deoxy-β-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid
Synonyms Sources
4-(4-deoxy-α-D-galact-4-enosyluronic acid)-D-galacturonic acid ChEBI
4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate KEGG COMPOUND
4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate KEGG COMPOUND
Unsaturated digalacturonate KEGG COMPOUND
Manual Xrefs Databases
C06118 KEGG COMPOUND
G10587 KEGG GLYCAN
UNF PDBeChem
View more database links
Registry Number Type Source
10297030 Beilstein Registry Number Beilstein
Last Modified
04 August 2014