EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:143151 - N,N',N'',N'''-tetraacetylchitotetraonate

ChEBI IDCHEBI:143151
ChEBI NameN,N',N'',N'''-tetraacetylchitotetraonate
Stars
ASCII NameN,N',N'',N'''-tetraacetylchitotetraonate
DefinitionSpontaneous hydrolysis product of CHEBI:143143
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H53N4O22
Net Charge-1
Average Mass845.782
Monoisotopic Mass845.31569
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@@H](NC(C)=O)C(=O)[O-])[C@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
InChIInChI=1S/C32H54N4O22/c1-9(41)33-17(29(51)52)23(48)26(13(45)5-37)56-31-19(35-11(3)43)24(49)28(15(7-39)54-31)58-32-20(36-12(4)44)25(50)27(16(8-40)55-32)57-30-18(34-10(2)42)22(47)21(46)14(6-38)53-30/h13-28,30-32,37-40,45-50H,5-8H2,1-4H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)(H,51,52)/p-1/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,30+,31+,32+/m1/s1
InChIKeyVXRASKQZVKDFQM-GIWPWQNKSA-M
ChEBI Ontology
Outgoing Relation(s)
N,N',N'',N'''-tetraacetylchitotetraonate (CHEBI:143151) is a carbohydrate acid anion (CHEBI:33721)
Synonym  Source
[(1→4)-N-acetyl-β-D-glucosamyl]3-(1→4)-N-acetyl-2-deoxy-2-amino-D-gluconateSUBMITTER
UniProt Name  Source
N,N',N'',N'''-tetraacetylchitotetraonateUniProt