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

ChEBI IDCHEBI:60032
ChEBI Nameundecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-γ-glutamyl-L-lysyl-D-alanyl-D-alanine(3−)
Stars
ASCII Nameundecaprenyldiphosphonato-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine(3-)
DefinitionThe 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.
Last Modified23 October 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC86H140N7O21P2
Net Charge-3
Average Mass1670.042
Monoisotopic Mass1668.95940
SMILESCC(=O)N[C@H]1[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)O[C@H](CO)[C@@H](O)[C@@H]1O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
InChIInChI=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
InChIKeySULOOAFLXMQJSF-OGDYFQGPSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
Mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala)-di-trans,octa-cis-undecaprenyl diphosphateUniProt