Chem
J-GLOBAL ID：200907084512976327   Nikkaji number：J2.756.131D

MurAc(oyl-L-Ala-D-γ-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol

MurAc(オイル-L-Ala-D-γ-Glu-L-Lys-D-Ala-D-Ala)ジホスホウンデカプレノール
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： C86H143N7O21P2
Molecular formula furigana： C86-H143-N7-O21-P2
Molecular weight： 1673.066
InChI： InChI=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)/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
InChI key： SULOOAFLXMQJSF-YLHMOFPXSA-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](O)[C@@H](CO)O[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)[C@@H]1NC(=O)C)C(=O)O)C(=O)O
Systematic name  (3)：
  • 1-O-[[[(2E,6E,10E,14E,18E,22E,26E,30E,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-ウンデカエニル]ホスホノ]ホスホノ]-N-アセチル-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-ヒドロキシ-2-{[ヒドロキシ({[ヒドロキシ({[(2E,6E,10E,14E,18E,22E,26E,30E,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-hydroxy-2-{[hydroxy({[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,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 (5)：
  • 1-O-[[[(2E,6E,10E,14E,18E,22E,26E,30E,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-undecaenyl]phosphono]phosphono]-N-acetyl-α-muramoyl-L-Ala-D-γGlu-L-Lys-D-Ala-D-Ala-OH
  • MurAc(oyl-L-Ala-D-γ-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol
  • Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine
  • MurAc(オイル-L-Ala-D-γ-Glu-L-Lys-D-Ala-D-Ala)ジホスホウンデカプレノール
  • ウンデカプレニルジホスホ-N-アセチルムラモイル-L-アラニル-γ-D-グルタミル-L-リシル-D-アラニル-D-アラニン
KEGG COMPOUND： C04851
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