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CHEBI:143145 - N,N'-diacetylchitobiono-1,5-lactone

ChEBI IDCHEBI:143145
ChEBI NameN,N'-diacetylchitobiono-1,5-lactone
Stars
ASCII NameN,N'-diacetylchitobiono-1,5-lactone
DefinitionA disaccharide that is N-acetyl-D-glucosamino-1,5-lactone in which the hydroxy group at position 5 is replaced by a 2-acetamido-2-deoxy-β-D-glucopyranosyl group.
Last Modified17 January 2023
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H26N2O11
Net Charge0
Average Mass422.387
Monoisotopic Mass422.15366
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(=O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
WURCSWURCS=2.0/1,1,0/[a2122h-1b_1-5_1*OC^SC^RC^RCOC^RCO/8$3/6=O/5NCC/13=O/4O_2*NCC/3=O]/1/
InChIInChI=1S/C16H26N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-14,16,19-20,23-25H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,16+/m1/s1
InChIKeyQEWMGEYMXSBQHP-XYLIUAONSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N'-diacetylchitobiono-1,5-lactone (CHEBI:143145) has functional parent N-acetyl-D-glucosamino-1,5-lactone (CHEBI:42870)
N,N'-diacetylchitobiono-1,5-lactone (CHEBI:143145) has functional parent N-acetyl-β-D-glucosamine (CHEBI:28009)
N,N'-diacetylchitobiono-1,5-lactone (CHEBI:143145) is a disaccharide (CHEBI:36233)
IUPAC Name 
N-[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)
UniProt Name  Source
N,N'-diacetylchitobiono-1,5-lactoneUniProt
Citations