CHEBI:143132 - undecaprenyldiphosphonato-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-O-phosphoglutamyl-L-lysyl-D-alanyl-D-alanine(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name undecaprenyldiphosphonato-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-O-phosphoglutamyl-L-lysyl-D-alanyl-D-alanine(4−)
ChEBI ID CHEBI:143132
ChEBI ASCII Name undecaprenyldiphosphonato-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-gamma-D-O-phosphoglutamyl-L-lysyl-D-alanyl-D-alanine(4-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C94H153N8O29P3
Net Charge -4
Average Mass 1952.208
Monoisotopic Mass 1950.99783
InChI InChI=1S/C94H157N8O29P3/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-124-133(120,121)131-134(122,123)130-94-82(100-75(18)106)86(85(79(58-104)127-94)128-93-81(99-74(17)105)84(109)83(108)78(57-103)126-93)125-73(16)89(112)96-71(14)88(111)102-77(92(116)129-132(117,118)119)52-53-80(107)101-76(51-19-20-55-95)90(113)97-70(13)87(110)98-72(15)91(114)115/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,108-109H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,112)(H,97,113)(H,98,110)(H,99,105)(H,100,106)(H,101,107)(H,102,111)(H,114,115)(H,120,121)(H,122,123)(H2,117,118,119)/p-4/b60-33+,61-35+,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-54-/t70-,71+,72-,73-,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,93+,94-/m1/s1
InChIKey YVDOHCYUJLXIMH-OVTFQNCVSA-J
SMILES CC(=CCC/C(=C/CC/C(=C/CC\C(\C)=C/CC\C(\C)=C/CC\C(\C)=C/CC/C(=C\CC\C(\C)=C/CC\C(\C)=C/CC\C(\C)=C/CC\C(\C)=C/COP(=O)([O-])OP(O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2NC(=O)C)O)O)CO)O[C@@H](C(=O)N[C@H](C(N[C@@H](C(=O)OP(=O)([O-])[O-])CCC(N[C@H](C(N[C@@H](C(N[C@@H](C([O-])=O)C)=O)C)=O)CCCC[NH3+])=O)=O)C)C)NC(C)=O)(=O)[O-])/C)/C)/C)C
ChEBI Ontology
Outgoing undecaprenyldiphosphonato-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-O-phosphoglutamyl-L-lysyl-D-alanyl-D-alanine(4−) (CHEBI:143132) is a organophosphonate oxoanion (CHEBI:59635)
Synonym Source
β-D-GlcNAc-(1→4)-Mur2Ac(oyl-L-Ala-γ-D-O-P-Glu-L-Lys-D-Ala-D-Ala)-diphospho-di-trans,octa-cis-undecaprenol UniProt
Manual Xref Database
CPD-21711 MetaCyc accession
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