Chem
J-GLOBAL ID：200907001241268825   Nikkaji number：J2.760.261D

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

N-[1-O-[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-ウンデカメチルテトラテトラコンタン-2,6,10,14,18,22,26,30,34,38,42-ウンデカエニル]ホスホノオキシホスホニル]-N-アセチル-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-α-ムラモイル]-L-Ala-D-γGlu-L-Lys-D-Ala-D-Ala-OH
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C94H156N8O26P2
Molecular formula furigana： C94-H156-N8-O26-P2
Molecular weight： 1876.260
InChI： InChI=1S/C94H156N8O26P2/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)54-56-122-129(118,119)128-130(120,121)127-94-82(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(109)83(108)78(57-103)124-93)123-73(16)89(112)96-71(14)88(111)102-77(92(116)117)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,116,117)(H,118,119)(H,120,121)/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
InChI key： ULXTYUPMJXVUHQ-OVTFQNCVSA-N
SMILES： C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(=O)C)[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]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)C)C(=O)O)C(=O)O
Systematic name  (3)：
  • N-[1-O-[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-ウンデカメチルテトラテトラコンタン-2,6,10,14,18,22,26,30,34,38,42-ウンデカエニル]ホスホノオキシホスホニル]-N-アセチル-4-O-[2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシル]-α-ムラモイル]-L-Ala-D-γGlu-L-Lys-D-Ala-D-Ala-OH
  • (2R)-4-{[(1S)-5-アミノ-1-{[(1R)-1-{[(1R)-1-カルボキシエチル]カルバモイル}エチル]カルバモイル}ペンチル]カルバモイル}-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-アセトアミド-5-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2-{[ヒドロキシ({[ヒドロキシ({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-ウンデカメチルテトラテトラコンタ-2,6,10,14,18,22,26,30,34,38,42-ウンデカエン-1-イル]オキシ})ホスホリル]オキシ})ホスホリル]オキシ}-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}プロパンアミド]プロパンアミド]ブタン酸
  • (2R)-4-{[(1S)-5-amino-1-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}pentyl]carbamoyl}-2-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-{[hydroxy({[hydroxy({[(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})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanoic acid
Other name (2)：
  • N-[1-O-[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetracontane-2,6,10,14,18,22,26,30,34,38,42-undecaenyl]phosphonooxyphosphonyl]-N-acetyl-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-muramoyl]-L-Ala-D-γGlu-L-Lys-D-Ala-D-Ala-OH
  • Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine
KEGG COMPOUND： C05893
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