CHEBI:15931 - 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose
ChEBI ID CHEBI:15931
ChEBI ASCII Name 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose
Definition A (4-deoxygluc-4-enosyluronic acid)-(1→3)-N-acetyl-D-galactosamine sulfate in which the 4-deoxygluc-4-enosyluronic acid component has β-D configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11983, CHEBI:1824, CHEBI:20359
Supplier Information
Download Molfile XML SDF
Formula C14H21NO14S
Net Charge 0
Average Mass 459.38000
Monoisotopic Mass 459.06828
InChI InChI=1S/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1
InChIKey BWBRFVRXCBBDEH-ZTVLJYEESA-N
SMILES CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](OS(O)(=O)=O)[C@@H]1O[C@@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
ChEBI Ontology
Outgoing 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose (CHEBI:15931) is a (4-deoxygluc-4-enosyluronic acid)-(1→3)-N-acetyl-D-galactosamine sulfate (CHEBI:20361)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose (CHEBI:15931) is conjugate acid of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963)
Incoming 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-4-O-sulfonato-D-galactopyranose(2−) (CHEBI:83963) is conjugate base of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose (CHEBI:15931)
IUPAC Name
2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranos-3-O-yl 4-deoxy-α-L-threo-hex-4-enopyranuronic acid
Synonym Source
4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate KEGG COMPOUND
Manual Xref Database
C04864 KEGG COMPOUND
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Last Modified
19 February 2015