CHEBI:60032 - undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine(3−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine(3−)
ChEBI ID CHEBI:60032
ChEBI ASCII Name undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine(3-)
Definition The ion of overall charge −3 formed from undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C86H140N7O21P2
Net Charge -3
Average Mass 1670.01360
Monoisotopic Mass 1668.95940
InChI InChI=1S/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/p-3/b58-32+,59-34+,60-36-,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78-,79-,86-/m1/s1
InChIKey SULOOAFLXMQJSF-OGDYFQGPSA-K
SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCC[NH3+])NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[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]1NC(C)=O)C([O-])=O)C([O-])=O
ChEBI Ontology
Outgoing undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine(3−) (CHEBI:60032) is a organophosphonate oxoanion (CHEBI:59635)
undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine(3−) (CHEBI:60032) is conjugate base of undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine (CHEBI:37738)
Incoming undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine (CHEBI:37738) is conjugate acid of undecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine(3−) (CHEBI:60032)
IUPAC Name
N-[(4R)-4-({N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-2-({[({[(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}oxy)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl}amino)-4-carboxylatobutanoyl]-6-azaniumyl-L-norleucyl-N-[(1R)-1-carboxylatoethyl]-D-alaninamide
Synonym Source
Mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphate UniProt
Last Modified
23 October 2020