CHEBI:68654 - [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−)
ChEBI ID CHEBI:68654
ChEBI ASCII Name [alpha-D-GalNAc-(1->4)]2-[beta-D-Glc-(1->3)]-[alpha-D-GalNAc-(1->4)]2-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)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-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
Formula C111H181N7O41P2
Net Charge -2
Average Mass 2331.59470
Monoisotopic Mass 2330.17797
InChI InChI=1S/C111H183N7O41P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)51-52-144-160(140,141)159-161(142,143)158-110-89(117-76(19)130)103(84(70(13)145-110)112-71(14)125)156-108-88(116-75(18)129)96(137)100(81(56-122)150-108)153-106-86(114-73(16)127)94(135)101(82(57-123)148-106)154-109-90(118-77(20)131)104(157-111-98(139)97(138)92(133)79(54-120)147-111)102(83(58-124)151-109)155-107-87(115-74(17)128)95(136)99(80(55-121)149-107)152-105-85(113-72(15)126)93(134)91(132)78(53-119)146-105/h31,33,35,37,39,41,43,45,47,49,51,70,78-111,119-124,132-139H,21-30,32,34,36,38,40,42,44,46,48,50,52-58H2,1-20H3,(H,112,125)(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,130)(H,118,131)(H,140,141)(H,142,143)/p-2/b60-33+,61-35+,62-37+,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-51-/t70-,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-,106-,107-,108-,109-,110-,111+/m1/s1
InChIKey UNWLHBGOABGYBQ-KHDDIPDUSA-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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[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)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68654) is a organophosphate oxoanion (CHEBI:58945)
[α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68654) is conjugate base of [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68831)
Incoming [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate (CHEBI:68831) is conjugate acid of [α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) (CHEBI:68654)
IUPAC Name
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)]-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)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tri-trans,hepta-cis-undecaprenyl diphosphate UniProt
[α-D-GalNAc-(1→4)]2-[β-D-Glc-(1→3)]-[α-D-GalNAc-(1→4)]2-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate ChEBI
[N-acetyl-α-D-galactosaminyl-(1→4)]2-[β-D-glucosyl-(1→3)]-[N-acetyl-α-D-galactosaminyl-(1→4)]2-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)]2-[β-D-glucosyl-(1→3)]-[N-acetyl-α-D-galactosaminyl-(1→4)]2-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)-[β-D-Glc-(1→3)]-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)-[β-D-Glc-(1→3)]-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→4)-α-D-GalNAc-(1→3)-α-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate(2−) ChEBI
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Last Modified
02 February 2018