CHEBI:81177 - Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-(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)-D-alanyl-D-alanine
ChEBI ID CHEBI:81177
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C97H161N9O27P2
Net Charge 0
Average Mass 1947.30790
Monoisotopic Mass 1946.09771
InChI InChI=1S/C97H161N9O27P2/c1-60(2)32-22-33-61(3)34-23-35-62(4)36-24-37-63(5)38-25-39-64(6)40-26-41-65(7)42-27-43-66(8)44-28-45-67(9)46-29-47-68(10)48-30-49-69(11)50-31-51-70(12)55-57-127-134(123,124)133-135(125,126)132-97-84(104-77(19)110)88(87(81(59-108)130-97)131-96-83(103-76(18)109)86(113)85(112)80(58-107)129-96)128-75(17)92(117)100-73(15)91(116)106-79(95(121)122)53-54-82(111)105-78(52-20-21-56-99-89(114)71(13)98)93(118)101-72(14)90(115)102-74(16)94(119)120/h32,34,36,38,40,42,44,46,48,50,55,71-75,78-81,83-88,96-97,107-108,112-113H,20-31,33,35,37,39,41,43,45,47,49,51-54,56-59,98H2,1-19H3,(H,99,114)(H,100,117)(H,101,118)(H,102,115)(H,103,109)(H,104,110)(H,105,111)(H,106,116)(H,119,120)(H,121,122)(H,123,124)(H,125,126)/b61-34+,62-36+,63-38-,64-40-,65-42-,66-44-,67-46-,68-48-,69-50-,70-55-/t71-,72+,73-,74+,75+,78-,79+,80+,81+,83+,84+,85+,86+,87+,88+,96-,97+/m0/s1
InChIKey MMGDIKBAHBHKDI-GCTRGLIYSA-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](N)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)-D-alanyl-D-alanine (CHEBI:81177) is a polymer (CHEBI:60027)
Manual Xref Database
C17550 KEGG COMPOUND
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