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CHEBI:16735 - 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose

ChEBI IDCHEBI:16735
ChEBI Name2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose
Stars
ASCII Name2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose
Secondary ChEBI IDsCHEBI:1825, CHEBI:11984, CHEBI:20360
Last Modified7 May 2020
DownloadsMolfile
FormulaC14H21NO14S
Net Charge0
Average Mass459.382
Monoisotopic Mass459.06828
SMILESCC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H]1O[C@@H]1OC(C(=O)O)=C[C@H](O)[C@H]1O
InChIInChI=1S/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)/t5-,7+,8+,9+,10-,11+,13?,14-/m0/s1
InChIKeyBUJZTFINDCQRGP-ZTVLJYEESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735) 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)-6-O-sulfo-D-glucopyranose (CHEBI:16735) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735) is conjugate acid of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878)
Incoming Relation(s)
4-deoxy-Δ4-β-D-GlcpA-(1→3)-β-D-GalpNAc6S (CHEBI:63266) is a 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735)
2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2−) (CHEBI:57878) is conjugate base of 2-acetamido-2-deoxy-3-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose (CHEBI:16735)
IUPAC Name 
2-acetamido-2-deoxy-6-O-sulfo-D-galactopyranos-3-O-yl 4-deoxy-α-L-threo-hex-4-enopyranuronic acid
Synonyms  Source
4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfateKEGG COMPOUND
4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfateChEBI
Manual XrefsDatabases
C04865KEGG COMPOUND
C04865KEGG COMPOUND