CHEBI:16126 - 3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine
ChEBI ID CHEBI:16126
ChEBI ASCII Name 3-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine
Definition An amino disaccharide consisting of N-acetyl-β-D-glucosamine having a 4-deoxy-α-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11724, CHEBI:1429, CHEBI:19931, CHEBI:63279
Supplier Information
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Formulae C14H21NO11
C14H21NO11
Net Charge 0
Average Mass 379.31668
Monoisotopic Mass 379.11146
InChI InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10+,11+,13+,14-/m0/s1
InChIKey DLGJWSVWTWEWBJ-UCFDOFRFSA-N
SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine (CHEBI:16126) has role human metabolite (CHEBI:77746)
3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine (CHEBI:16126) is a β-D-4-deoxy-Δ4-GlcpA-(1→3)-D-GlcpNAc (CHEBI:132805)
3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine (CHEBI:16126) is conjugate acid of β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GlcpNAc(1−) (CHEBI:63280)
Incoming β-D-4-deoxy-Δ4-GlcpA-(1→3)-β-D-GlcpNAc(1−) (CHEBI:63280) is conjugate base of 3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine (CHEBI:16126)
IUPAC Names
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranose
3-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose
Synonyms Sources
2-(acetylamino)-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranose IUPAC
3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose KEGG COMPOUND
3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine ChEBI
3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine KEGG COMPOUND
β-D-4-deoxy-Δ4-GlcA-(1→3)-β-D-GlcNAc ChEBI
Manual Xrefs Databases
C04794 KEGG COMPOUND
G10588 KEGG GLYCAN
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Citation Waiting for Citations Type Source
19416976 PubMed citation Europe PMC
Last Modified
25 July 2016