Chem
J-GLOBAL ID：200907041104624977
Nikkaji number：J1.185.562H
1-O-(1-O,2-O-Ditetradecanoyl-L-glycero-3-phospho)-6-O-[4-O-α-D-mannopyranosyl-2-amino-6-[(2-nitro-5-azidobenzoyl)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-[(2-ニトロ-5-アジドベンゾイル)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： C56H95N3[N-][N+]2O23[O-]P
Molecular formula furigana： C56-H95-N6-O24-P
Molecular weight： 1267.368
InChI：
InChI=1S/C56H95N6O24P/c1-3-5-7-9-11-13-15-17-19-21-23-25-40(64)79-32-35(81-41(65)26-24-22-20-18-16-14-12-10-8-6-4-2)33-80-87(77,78)86-53-49(72)47(70)46(69)48(71)52(53)85-55-42(57)44(67)51(84-56-50(73)45(68)43(66)39(31-63)83-56)38(82-55)30-59-54(74)36-29-34(60-61-58)27-28-37(36)62(75)76/h27-29,35,38-39,42-53,55-56,63,66-73H,3-26,30-33,57H2,1-2H3,(H,59,74)(H,77,78)/t35-,38-,39-,42-,43-,44-,45+,46-,47-,48+,49-,50+,51-,52-,53-,55-,56-/m1/s1
InChI key：
SGKFMSMPCNAODY-KEUNVGLLSA-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)c2cc(ccc2[N+](=O)[O-])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)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-[(2-ニトロ-5-アジドベンゾイル)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-{[(5-アジド-2-ニトロフェニル)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-{[(5-azido-2-nitrophenyl)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-[(2-nitro-5-azidobenzoyl)amino]-2,6-dideoxy-α-D-glucopyranosyl]-D-myo-inositol
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