CHEBI:68653 - [α-D-GalNAc-(1→4)]₄-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−)

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ChEBI Name [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) ChEBI ID CHEBI:68653 ChEBI ASCII Name [alpha-D-GalNAc-(1->4)]4-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2-) Definition An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-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 No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C105H171N7O36P2 Net Charge -2 Average Mass 2169.45410 Monoisotopic Mass 2168.12515 InChI InChI=1S/C105H173N7O36P2/c1-58(2)31-21-32-59(3)33-22-34-60(4)35-23-36-61(5)37-24-38-62(6)39-25-40-63(7)41-26-42-64(8)43-27-44-65(9)45-28-46-66(10)47-29-48-67(11)49-30-50-68(12)51-52-135-149(131,132)148-150(133,134)147-105-88(112-76(20)124)99(82(69(13)136-105)106-70(14)118)146-104-87(111-75(19)123)94(130)98(81(57-117)141-104)145-103-86(110-74(18)122)93(129)97(80(56-116)140-103)144-102-85(109-73(17)121)92(128)96(79(55-115)139-102)143-101-84(108-72(16)120)91(127)95(78(54-114)138-101)142-100-83(107-71(15)119)90(126)89(125)77(53-113)137-100/h31,33,35,37,39,41,43,45,47,49,51,69,77-105,113-117,125-130H,21-30,32,34,36,38,40,42,44,46,48,50,52-57H2,1-20H3,(H,106,118)(H,107,119)(H,108,120)(H,109,121)(H,110,122)(H,111,123)(H,112,124)(H,131,132)(H,133,134)/p-2/b59-33+,60-35+,61-37+,62-39-,63-41-,64-43-,65-45-,66-47-,67-49-,68-51-/t69-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89+,90-,91-,92-,93-,94-,95+,96+,97+,98+,99+,100-,101-,102-,103-,104-,105-/m1/s1 InChIKey YGYQMWIRLGPSQQ-MVDZMULYSA-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]3O[C@H](CO)[C@H](O[C@H]4O[C@H](CO)[C@H](O[C@H]5O[C@H](CO)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1NC(C)=O ChEBI Ontology Outgoing [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68653) is a organophosphate oxoanion (CHEBI:58945) [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68653) is conjugate base of [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68829) Incoming [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68829) is conjugate acid of [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68653) IUPAC Name 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-2,4-diacetamido-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→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tri-trans,hepta-cis-undecaprenyl diphosphate UniProt [α-D-GalNAc-(1→4)]4-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate ChEBI [N-acetyl-α-D-galactosaminyl-(1→4)]4-N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate ChEBI [N-acetyl-α-D-galactosaminyl-(1→4)]4-N-acetyl-α-D-galactosaminyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-tritrans,heptacis-undecaprenyl diphosphate(2−) ChEBI α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate ChEBI α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) ChEBI Citations Types Sources 16186480 PubMed citation SUBMITTER 16547029 PubMed citation SUBMITTER Last Modified 02 February 2018