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CHEBI:62958 - N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol

Default Structure
ChEBI IDCHEBI:62958
ChEBI NameN-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol
Stars
ASCII NameN-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol
DefinitionA polyprenyl glycosyl diphosphate having N-acetyl-α-D-glucosamine as the glycosyl fragment.
Last Modified27 September 2011
SubmitterSteve
DownloadsMolfile
FormulaC63H105NO12P2
Net Charge0
Average Mass1130.476
Monoisotopic Mass1129.71120
SMILESCC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,70)76-78(71,72)75-63-60(64-58(13)66)62(68)61(67)59(46-65)74-63/h24,26,28,30,32,34,36,38,40,42,44,59-63,65,67-68H,14-23,25,27,29,31,33,35,37,39,41,43,45-46H2,1-13H3,(H,64,66)(H,69,70)(H,71,72)/b48-26+,49-28+,50-30-,51-32-,52-34-,53-36-,54-38-,55-40-,56-42-,57-44-/t59-,60-,61-,62-,63-/m1/s1
InChIKeyNEVJGTXBHJNFAZ-JXCMATCVSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:62958) is a N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:16511)
N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:62958) is conjugate acid of N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2−) (CHEBI:62959)
Incoming Relation(s)
N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol(2−) (CHEBI:62959) is conjugate base of N-acetyl-α-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:62958)
IUPAC Name 
2-(acetylamino)-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-α-D-glucopyranose
Synonym  Source
N-acetyl-α-D-glucosaminyl-diphospho-di-trans,octa-cis-undecaprenolChEBI