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CHEBI:74980 - 2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate dimer

ChEBI IDCHEBI:74980
ChEBI Name2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate dimer
Stars
ASCII Name2-N-acetyl-alpha-D-glucosaminopyranosyl-(1->3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-alpha-D-glucosaminopyranosyl-(1->2)-(2R)-3-hydroxypropanoate dimer
DefinitionA dimeric disaccharide derivative formed from 2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate.
Last Modified29 July 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC39H69N3O33P2
Net Charge0
Average Mass1169.917
Monoisotopic Mass1169.32885
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@H](CO)C(=O)O)O[C@H](COP(=O)(O)OC[C@H]3O[C@H](O[C@@H]4[C@@H](O)[C@@H](O[C@H](CO)C(=O)O)O[C@H](COP(=O)(O)OCCCCCN)[C@H]4O)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C39H69N3O33P2/c1-14(46)41-22-28(52)24(48)16(8-43)68-36(22)74-32-27(51)21(73-38(30(32)54)69-17(9-44)34(56)57)13-67-77(62,63)66-11-19-25(49)29(53)23(42-15(2)47)37(71-19)75-33-26(50)20(12-65-76(60,61)64-7-5-3-4-6-40)72-39(31(33)55)70-18(10-45)35(58)59/h16-33,36-39,43-45,48-55H,3-13,40H2,1-2H3,(H,41,46)(H,42,47)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,36-,37-,38+,39+/m1/s1
InChIKeyXCBIIXMNTTXMSM-VKJCAURSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-N-acetyl-α-D-glucosaminopyranosyl-(1→3)-2-N-acetyl-6-(5-aminopentyl phosphoryl)-α-D-glucosaminopyranosyl-(1→2)-(2R)-3-hydroxypropanoate dimer (CHEBI:74980) is a disaccharide derivative (CHEBI:63353)
Citations