Chem
J-GLOBAL ID：200907060575032934   Nikkaji number：J2.760.323H

Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-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-α-ムラモイル]-L-Ala-D-γGlu-[(2S,6R)-2-アミノ*-6-アミノ-6-カルボキシヘキサノイル]-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： C87H143N7O23P2
Molecular formula furigana： C87-H143-N7-O23-P2
Molecular weight： 1717.075
InChI： InChI=1S/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(98)75(55-95)115-87)114-70(16)82(101)89-68(14)81(100)94-74(86(107)108)51-52-76(97)93-73(50-28-49-72(88)85(105)106)83(102)90-67(13)80(99)91-69(15)84(103)104/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,98H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,101)(H,90,102)(H,91,99)(H,92,96)(H,93,97)(H,94,100)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/b57-31+,58-33+,59-35-,60-37-,61-39-,62-41-,63-43-,64-45-,65-47-,66-53-/t67-,68+,69-,70-,72-,73+,74-,75-,77-,78-,79-,87-/m1/s1
InChI key： PNWZQTONLRRPST-KLDRQJOASA-N
SMILES： C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(=O)O)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)：
  • 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-α-ムラモイル]-L-Ala-D-γGlu-[(2S,6R)-2-アミノ*-6-アミノ-6-カルボキシヘキサノイル]-D-Ala-D-Ala-OH
  • (2R,6S)-2-アミノ-6-[(4R)-4-カルボキシ-4-[(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({[(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]ブタンアミド]-6-{[(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}ヘキサン酸
  • (2R,6S)-2-amino-6-[(4R)-4-carboxy-4-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-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]butanamido]-6-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}hexanoic 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-α-muramoyl]-L-Ala-D-γGlu-[(2S,6R)-2-amino*-6-amino-6-carboxyhexanoyl]-D-Ala-D-Ala-OH
  • Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
KEGG COMPOUND： C05897
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