Chem
J-GLOBAL ID：200907091602027690
Nikkaji number：J1.185.566K
1-O-(1-O,2-O-Ditetradecanoyl-L-glycero-3-phospho)-6-O-[4-O-α-D-mannopyranosyl-2-amino-6-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]-2,6-dideoxy-α-D-glucopyranosyl]-D-myo-inositol
1-O-(1-O,2-O-ジテトラデカノイル-L-グリセロ-3-ホスホ)-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-3-ヨードベンゾイル)アミノ]-2,6-ジデオキシ-α-D-グルコピラノシル]-D-myo-イノシトール
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
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
Molecular formula： C56H95IN3[N-][N+]O23P
Molecular formula furigana： C56-H95-I-N5-O23-P
Molecular weight： 1364.266
InChI：
InChI=1S/C56H95IN5O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-38(64)78-31-33(80-39(65)26-24-22-20-18-16-14-12-10-8-6-4-2)32-79-86(76,77)85-53-49(73)47(71)46(70)48(72)52(53)84-55-41(58)44(68)51(83-56-50(74)45(69)43(67)37(30-63)82-56)36(81-55)29-60-54(75)34-27-28-35(61-62-59)40(57)42(34)66/h27-28,33,36-37,41,43-53,55-56,63,66-74H,3-26,29-32,58H2,1-2H3,(H,60,75)(H,76,77)/t33-,36-,37-,41-,43-,44-,45+,46-,47-,48+,49-,50+,51-,52-,53-,55-,56-/m1/s1
InChI key：
XDOFYPGOGHBBIG-ULBAZYTKSA-N
SMILES：
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CNC(=O)c2ccc(N=[N+]=[N-])c(I)c2O)[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)CCCCCCCCCCCCC
Systematic name (3)：
- 1-O-(1-O,2-O-ジテトラデカノイル-L-グリセロ-3-ホスホ)-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-3-ヨードベンゾイル)アミノ]-2,6-ジデオキシ-α-D-グルコピラノシル]-D-myo-イノシトール
- {[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-アミノ-6-{[(4-アジド-2-ヒドロキシ-3-ヨードフェニル)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}-3,4,5,6-テトラヒドロキシシクロヘキシル]オキシ}[(2R)-2,3-ビス(テトラデカノイルオキシ)プロポキシ]ホスフィン酸
- {[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-6-{[(4-azido-2-hydroxy-3-iodophenyl)formamido]methyl}-4-hydroxy-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(tetradecanoyloxy)propoxy]phosphinic acid
- 1-O-(1-O,2-O-Ditetradecanoyl-L-glycero-3-phospho)-6-O-[4-O-α-D-mannopyranosyl-2-amino-6-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]-2,6-dideoxy-α-D-glucopyranosyl]-D-myo-inositol
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