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 No supplier information found for this compound.
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-di-trans,octa-cis-undecaprenyl diphosphate 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 October 2020