CHEBI:61496 - α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−)
ChEBI ID CHEBI:61496
ChEBI ASCII Name alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate(3-)
Definition An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-α-D-GlcNAc-undecaprenyl diphosphate; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C79H126N3O22P2
Net Charge -3
Average Mass 1531.80020
Monoisotopic Mass 1530.83247
InChI InChI=1S/C79H129N3O22P2/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)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/p-3/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-,74+,75+,77-,78-,79-/m1/s1
InChIKey PSONHUYFSWYIME-QSIPGKSISA-K
SMILES C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]3CO)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]2C([O-])=O)[C@H](O)[C@@H](O)[C@H]1NC(C)=O
ChEBI Ontology
Outgoing α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496) is a carbohydrate acid derivative anion (CHEBI:63551)
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496) is a monocarboxylic acid anion (CHEBI:35757)
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496) is a organophosphate oxoanion (CHEBI:58945)
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496) is conjugate base of α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate (CHEBI:61533)
Incoming α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate (CHEBI:61533) is conjugate acid of α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496)
IUPAC Name
4-acetamido-4,6-dideoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-mannopyranuronosyl-(1→4)-2-acetamido-2-deoxy-1-O-{[({[(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}phosphinato)oxy]phosphinato}-α-D-glucopyranose
Synonyms Sources
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate UniProt
C55-PP-GlcNAc-ManNAcA-Fuc4NAc SUBMITTER
lipid III SUBMITTER
ManNAcA-GlcNAc-Fuc4NAc-PP-lipid SUBMITTER
ManNAcA-GlcNAc-Fuc4NAc-pyrophosphorylundecaprenol SUBMITTER
N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose undecaprenyl pyrophosphate(3−) ChEBI
Undecaprenyl-diphospho N-acetylglucosamine-N-acetylmannosaminuronate-N-acetamido-4,6-dideoxy-D-galactose SUBMITTER
Manual Xref Database
C55-PP-GLCNAC-MANNACA-FUC4NAC MetaCyc
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Last Modified
10 January 2012