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CHEBI:143143 - N,N',N'',N'''-tetraacetylchitotetraono-1,5-lactone

ChEBI IDCHEBI:143143
ChEBI NameN,N',N'',N'''-tetraacetylchitotetraono-1,5-lactone
Stars
ASCII NameN,N',N'',N'''-tetraacetylchitotetraono-1,5-lactone
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H52N4O21
Net Charge0
Average Mass828.775
Monoisotopic Mass828.31240
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]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
WURCSWURCS=2.0/2,3,2/[a2122h-1b_1-5_1*OC^SC^RC^RCOC^RCO/8$3/6=O/5NCC/13=O/4O_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a4-b1_b4-c1
InChIInChI=1S/C32H52N4O21/c1-9(41)33-17-23(47)26(14(6-38)51-29(17)50)55-31-19(35-11(3)43)25(49)28(16(8-40)53-31)57-32-20(36-12(4)44)24(48)27(15(7-39)54-32)56-30-18(34-10(2)42)22(46)21(45)13(5-37)52-30/h13-28,30-32,37-40,45-49H,5-8H2,1-4H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,30+,31+,32+/m1/s1
InChIKeyZWAGRNFKEYEKAL-GIWPWQNKSA-N
ChEBI Ontology
Outgoing Relation(s)
N,N',N'',N'''-tetraacetylchitotetraono-1,5-lactone (CHEBI:143143) is a tetrasaccharide (CHEBI:50126)
UniProt Name  Source
N,N',N'',N'''-tetraacetylchitotetraono-1,5-lactoneUniProt
Citations