Chem
J-GLOBAL ID：200907029222292822
Nikkaji number：J1.185.565B
1-O-(1-O,2-O-Dihexadecanoyl-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-ジヘキサデカノイル-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： C60H103IN3[N-][N+]O23P
Molecular formula furigana： C60-H103-I-N5-O23-P
Molecular weight： 1420.374
InChI：
InChI=1S/C60H103IN5O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-42(68)82-35-37(84-43(69)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-83-90(80,81)89-57-53(77)51(75)50(74)52(76)56(57)88-59-45(62)48(72)55(87-60-54(78)49(73)47(71)41(34-67)86-60)40(85-59)33-64-58(79)38-31-32-39(65-66-63)44(61)46(38)70/h31-32,37,40-41,45,47-57,59-60,67,70-78H,3-30,33-36,62H2,1-2H3,(H,64,79)(H,80,81)/t37-,40-,41-,45-,47-,48-,49+,50-,51-,52+,53-,54+,55-,56-,57-,59-,60-/m1/s1
InChI key：
USLUKUMFHWIGRP-YPYRUCHASA-N
SMILES：
CCCCCCCCCCCCCCCC(=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)CCCCCCCCCCCCCCC
Systematic name (3)：
- 1-O-(1-O,2-O-ジヘキサデカノイル-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(ヘキサデカノイルオキシ)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(hexadecanoyloxy)propoxy]phosphinic acid
- 1-O-(1-O,2-O-Dihexadecanoyl-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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