CHEBI:81176 - Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine
ChEBI ID CHEBI:81176
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C100H166N10O28P2
Net Charge 0
Average Mass 2018.38580
Monoisotopic Mass 2017.13483
InChI InChI=1S/C100H166N10O28P2/c1-61(2)33-23-34-62(3)35-24-36-63(4)37-25-38-64(5)39-26-40-65(6)41-27-42-66(7)43-28-44-67(8)45-29-46-68(9)47-30-48-69(10)49-31-50-70(11)51-32-52-71(12)56-58-132-139(128,129)138-140(130,131)137-100-86(108-79(20)114)90(89(83(60-112)135-100)136-99-85(107-78(19)113)88(117)87(116)82(59-111)134-99)133-77(18)95(122)104-75(16)94(121)110-81(98(126)127)54-55-84(115)109-80(96(123)105-74(15)93(120)106-76(17)97(124)125)53-21-22-57-102-92(119)73(14)103-91(118)72(13)101/h33,35,37,39,41,43,45,47,49,51,56,72-77,80-83,85-90,99-100,111-112,116-117H,21-32,34,36,38,40,42,44,46,48,50,52-55,57-60,101H2,1-20H3,(H,102,119)(H,103,118)(H,104,122)(H,105,123)(H,106,120)(H,107,113)(H,108,114)(H,109,115)(H,110,121)(H,124,125)(H,126,127)(H,128,129)(H,130,131)/b62-35+,63-37+,64-39-,65-41-,66-43-,67-45-,68-47-,69-49-,70-51-,71-56-/t72-,73-,74+,75-,76+,77+,80-,81+,82+,83+,85+,86+,87+,88+,89+,90+,99-,100+/m0/s1
InChIKey UHVZHKZFXLAOQF-BMLJGQHCSA-N
SMILES [C@@H]1([C@@H]([C@H](OC([C@@H]1NC(C)=O)OP(OP(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(\CC\C=C(\CCC=C(C)C)/C)/C)(O)=O)(O)=O)CO)O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)NC(C)=O)OC(C(N[C@H](C(NC(CCC(N[C@H](C(N[C@@H](C(N[C@@H](C(O)=O)C)=O)C)=O)CCCCNC([C@@H](NC([C@@H](N)C)=O)C)=O)=O)C(O)=O)=O)C)=O)C
ChEBI Ontology
Outgoing Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(L-alanyl-L-alanyl)-D-alanyl-D-alanine (CHEBI:81176) is a polymer (CHEBI:60027)
Manual Xref Database
C17549 KEGG COMPOUND
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