CHEBI:61495 - β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−)
ChEBI ID CHEBI:61495
ChEBI ASCII Name beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3-)
Definition An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C71H113N2O18P2
Net Charge -3
Average Mass 1344.60700
Monoisotopic Mass 1343.74801
InChI InChI=1S/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82,83)91-93(84,85)90-71-63(73-60(14)76)65(78)67(61(47-74)87-71)88-70-62(72-59(13)75)64(77)66(79)68(89-70)69(80)81/h25,27,29,31,33,35,37,39,41,43,45,61-68,70-71,74,77-79H,15-24,26,28,30,32,34,36,38,40,42,44,46-47H2,1-14H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)(H,84,85)/p-3/b49-27+,50-29+,51-31-,52-33-,53-35-,54-37-,55-39-,56-41-,57-43-,58-45-/t61-,62+,63-,64-,65-,66+,67-,68+,70-,71-/m1/s1
InChIKey IGGGNUSEBUZFTR-YETNCWQZSA-K
SMILES CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]1CO)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([O-])=O
ChEBI Ontology
Outgoing β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61495) is a carbohydrate acid derivative anion (CHEBI:63551)
β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61495) is a monocarboxylic acid anion (CHEBI:35757)
β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61495) is a organophosphate oxoanion (CHEBI:58945)
β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61495) is conjugate base of β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:61561)
Incoming β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol (CHEBI:61561) is conjugate acid of β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol(3−) (CHEBI:61495)
IUPAC Name
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
β-D-ManNAcA-(1→4)-α-D-GlcNAc-1-diphospho-di-trans,octa-cis-undecaprenol UniProt
β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) ChEBI
C55-PP-GlcNAc-ManNAcA(3−) SUBMITTER
lipid II(3−) SUBMITTER
ManNAcA-GlcNAc-PP-lipid(3−) SUBMITTER
ManNAcA-GlcNAc-pyrophosphorylundecaprenol(3−) SUBMITTER
N-acetyl-β-D-mannosaminouronyl-(1→4)-N-acetyl-α-D-glucosaminyl-diphospho-di-trans,octa-cis-undecaprenol(3−) ChEBI
N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate undecaprenyl pyrophosphate(3−) ChEBI
Undecaprenyl-diphospho-N-acetylglucosamine-N-acetylmannosaminuronate(3−) SUBMITTER
Manual Xref Database
C55-PP-GLCNAC-MANNACA MetaCyc
View more database links
Last Modified
23 March 2015