Chem
J-GLOBAL ID：200907042580921803   Nikkaji number：J1.185.574A

6-O-[4-O-α-D-Mannopyranosyl-2-amino-6-(4-azido-2-hydroxybenzoylamino)-2,6-dideoxy-α-D-glucopyranosyl]-1-O-(1-O,2-O-dihexadecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol

6-O-[4-O-α-D-マンノピラノシル-2-アミノ-6-(4-アジド-2-ヒドロキシベンゾイルアミノ)-2,6-ジデオキシ-α-D-グルコピラノシル]-1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
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： C72H120N3[N-][N+]O23P
Molecular formula furigana： C72-H120-N5-O23-P
Molecular weight： 1454.738
InChI： InChI=1S/C72H120N5O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-35-54(80)89-46-49(91-55(81)36-30-26-24-22-20-18-16-14-12-10-8-6-4-2)47-90-101(87,88)100-67-62(63-64(97-71(96-63)39-31-27-32-40-71)65-66(67)99-72(98-65)41-33-28-34-42-72)95-69-56(73)58(83)61(94-70-60(85)59(84)57(82)53(45-78)93-70)52(92-69)44-75-68(86)50-38-37-48(76-77-74)43-51(50)79/h37-38,43,49,52-53,56-67,69-70,78-79,82-85H,3-36,39-42,44-47,73H2,1-2H3,(H,75,86)(H,87,88)/t49-,52-,53-,56-,57-,58-,59+,60+,61-,62-,63-,64+,65-,66-,67+,69-,70-/m1/s1
InChI key： WWNRGCSFJMKKAC-VRECDTTASA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]2OC3(CCCCC3)O[C@@H]2[C@H]1O[C@H]1O[C@H](CNC(=O)c2ccc(cc2O)N=[N+]=[N-])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1N)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3)：
  • 6-O-[4-O-α-D-マンノピラノシル-2-アミノ-6-(4-アジド-2-ヒドロキシベンゾイルアミノ)-2,6-ジデオキシ-α-D-グルコピラノシル]-1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-2-O,3-O:4-O,5-O-ジシクロヘキシリデン-D-myo-イノシトール
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5S,6R)-3-アミノ-6-{[(4-アジド-2-ヒドロキシフェニル)ホルムアミド]メチル}-4-ヒドロキシ-5-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}ジスピロ[シクロヘキサン-1,4'-[3,5,10,12]テトラオキサトリシクロ[7.3.0.02,6]ドデカン-11',1''-シクロヘキサン]-7'-イルオキシ][(2R)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]ホスフィン酸
  • [(1'S,2'R,6'R,7'S,8'R,9'R)-8'-{[(2R,3R,4R,5S,6R)-3-amino-6-{[(4-azido-2-hydroxyphenyl)formamido]methyl}-4-hydroxy-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}dispiro[cyclohexane-1,4'-[3,5,10,12]tetraoxatricyclo[7.3.0.02,6]dodecane-11',1''-cyclohexan]-7'-yloxy][(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid
Other name (1)：
  • 6-O-[4-O-α-D-Mannopyranosyl-2-amino-6-(4-azido-2-hydroxybenzoylamino)-2,6-dideoxy-α-D-glucopyranosyl]-1-O-(1-O,2-O-dihexadecanoyl-L-glycero-3-phospho)-2-O,3-O:4-O,5-O-dicyclohexylidene-D-myo-inositol
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