CHEBI:68652 - N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−)

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ChEBI Name N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) ChEBI ID CHEBI:68652 ChEBI ASCII Name N-acetyl-alpha-D-galactosaminyl-(1->3)-N,N'-diacetyl-alpha-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2-) Definition An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information ZINC000008215638 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C73H119N3O16P2 Net Charge -2 Average Mass 1356.68400 Monoisotopic Mass 1355.80766 InChI InChI=1S/C73H121N3O16P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-87-93(83,84)92-94(85,86)91-73-68(76-64(16)80)71(66(61(13)88-73)74-62(14)78)90-72-67(75-63(15)79)70(82)69(81)65(49-77)89-72/h27,29,31,33,35,37,39,41,43,45,47,61,65-73,77,81-82H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,74,78)(H,75,79)(H,76,80)(H,83,84)(H,85,86)/p-2/b51-29+,52-31+,53-33+,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66-,67-,68-,69+,70-,71+,72-,73-/m1/s1 InChIKey XKBQJSBUHZIVDD-SKYXNNIUSA-L SMILES C[C@H]1O[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)[C@H](NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1NC(C)=O ChEBI Ontology Outgoing N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68652) is a organophosphate oxoanion (CHEBI:58945) N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68652) is conjugate base of N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68826) Incoming N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68826) is conjugate acid of N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68652) IUPAC Name 2,4-diacetamido-3-O-(2-acetamido-2-deoxy-α-D-galactopyranosyl)-2,4,6-trideoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,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}phosphinato)oxy]phosphinato}-α-D-glucopyranose Synonyms Sources α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate ChEBI α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) ChEBI N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tri-trans,hepta-cis-undecaprenyl diphosphate UniProt N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate ChEBI Citations Types Sources 16186480 PubMed citation SUBMITTER 16618123 PubMed citation Europe PMC 18034500 PubMed citation SUBMITTER Last Modified 02 February 2018