Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-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-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-[(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

Decided structure
Molecular formula： C₉₅H₁₅₆N₈O₂₈P₂
Molecular formula furigana： C95-H156-N8-O28-P2
Molecular weight： 1920.269

InChI： InChI=1S/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(101-74(18)107)86(85(79(57-105)128-95)129-94-81(100-73(17)106)84(110)83(109)78(56-104)127-94)126-72(16)89(113)97-70(14)88(112)103-77(93(119)120)52-53-80(108)102-76(51-29-50-75(96)92(117)118)90(114)98-69(13)87(111)99-71(15)91(115)116/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,104-105,109-110H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H,97,113)(H,98,114)(H,99,111)(H,100,106)(H,101,107)(H,102,108)(H,103,112)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/b59-32+,60-34+,61-36-,62-38-,63-40-,64-42-,65-44-,66-46-,67-48-,68-54-/t69-,70+,71-,72-,75-,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,94+,95-/m1/s1

InChI key： OXJNZXDFVLDLEI-MBCYCBSHSA-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](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-[(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-{[(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-{[(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]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-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-α-muramoyl]-L-Ala-D-γGlu-[(2S,6R)-2-amino*-6-amino-6-carboxyhexanoyl]-D-Ala-D-Ala-OH
Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine

KEGG COMPOUND： C05898

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