Chem
J-GLOBAL ID：200907048829734519   Nikkaji number：J1.445.935I

Lipid II

リピドII
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： C95H158N8O26P2
Molecular formula furigana： C95-H158-N8-O26-P2
Molecular weight： 1890.287
InChI： InChI=1S/C95H158N8O26P2/c1-60(2)32-21-33-61(3)34-22-35-62(4)36-23-37-63(5)38-24-39-64(6)40-25-41-65(7)42-26-43-66(8)44-27-45-67(9)46-28-47-68(10)48-29-49-69(11)50-30-51-70(12)52-31-57-123-130(119,120)129-131(121,122)128-95-83(101-76(18)107)87(86(80(59-105)126-95)127-94-82(100-75(17)106)85(110)84(109)79(58-104)125-94)124-74(16)90(113)97-72(14)89(112)103-78(93(117)118)54-55-81(108)102-77(53-19-20-56-96)91(114)98-71(13)88(111)99-73(15)92(115)116/h32,34,36,38,40,42,44,46,48,50,52,71-74,77-80,82-87,94-95,104-105,109-110H,19-31,33,35,37,39,41,43,45,47,49,51,53-59,96H2,1-18H3,(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)/b61-34+,62-36+,63-38+,64-40-,65-42-,66-44-,67-46-,68-48-,69-50-,70-52-/t71-,72+,73-,74-,77+,78-,79-,80-,82-,83-,84-,85-,86-,87-,94+,95-/m1/s1
InChI key： FDRBZIWMKUDFNM-YDOZTRCWSA-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)OCC/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)：
  • 2-O-[1-O-[[[[(3Z,7Z,11Z,15Z,19Z,23Z,27Z,31E,35E,39E)-4,8,12,16,20,24,28,32,36,40,44-ウンデカメチル-3,7,11,15,19,23,27,31,35,39,43-ペンタテトラコンタウンデカエン-1-イル]オキシ]ホスホニルオキシ]ホスホニル]-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]-N-アセチル-3-デオキシ-α-D-グルコサミン-3-イル]-D-Lac-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({[(3Z,7Z,11Z,15Z,19Z,23Z,27Z,31E,35E,39E)-4,8,12,16,20,24,28,32,36,40,44-ウンデカメチルペンタテトラコンタ-3,7,11,15,19,23,27,31,35,39,43-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({[(3Z,7Z,11Z,15Z,19Z,23Z,27Z,31E,35E,39E)-4,8,12,16,20,24,28,32,36,40,44-undecamethylpentatetraconta-3,7,11,15,19,23,27,31,35,39,43-undecaen-1-yl]oxy})phosphoryl]oxy})phosphoryl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanoic acid
Other name (3)：
  • 2-O-[1-O-[[[[(3Z,7Z,11Z,15Z,19Z,23Z,27Z,31E,35E,39E)-4,8,12,16,20,24,28,32,36,40,44-Undecamethyl-3,7,11,15,19,23,27,31,35,39,43-pentatetracontaundecene-1-yl]oxy]phosphonyloxy]phosphonyl]-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-N-acetyl-3-deoxy-α-D-glucosamine-3-yl]-D-Lac-L-Ala-D-γGlu-L-Lys-D-Ala-D-Ala-OH ester
  • リピドII
  • Lipid II
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