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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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