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

ChEBI IDCHEBI:16126
ChEBI Name3-(4-deoxy-β-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine
Stars
ASCII Name3-(4-deoxy-beta-D-gluc-4-enosyluronic acid)-N-acetyl-D-glucosamine
DefinitionAn 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.
Secondary ChEBI IDsCHEBI:1429, CHEBI:11724, CHEBI:19931, CHEBI:63279
Last Modified25 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21NO11
Net Charge0
Average Mass379.318
Monoisotopic Mass379.11146
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=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
InChIKeyDLGJWSVWTWEWBJ-UCFDOFRFSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 
3-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucose
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranose
Synonyms  Source
3-(4-Deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamineKEGG COMPOUND
3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamineChEBI
β-D-4-deoxy-Δ4-GlcA-(1→3)-β-D-GlcNAcChEBI
2-(acetylamino)-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranuronosyl)-β-D-glucopyranoseIUPAC
3-(4-Deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-2-acetamido-2-deoxy-D-glucoseKEGG COMPOUND
Manual XrefsDatabases
C04794KEGG COMPOUND
C04794KEGG COMPOUND
G10588KEGG GLYCAN
Citations