Chem
J-GLOBAL ID：200907028381767681
Nikkaji number：J1.185.563F
1-O-(1-O,2-O-Dihexadecanoyl-L-glycero-3-phospho)-6-O-[4-O-α-D-mannopyranosyl-2-amino-6-[3-(4-azidophenyl)thioureido]-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-[3-(4-アジドフェニル)チオウレイド]-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： C60H105N4[N-][N+]O21PS
Molecular formula furigana： C60-H105-N6-O21-P-S
Molecular weight： 1309.550
InChI：
InChI=1S/C60H105N6O21PS/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-44(68)80-37-41(82-45(69)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-81-88(78,79)87-57-53(76)51(74)50(73)52(75)56(57)86-58-46(61)48(71)55(85-59-54(77)49(72)47(70)43(36-67)84-59)42(83-58)35-63-60(89)64-39-31-33-40(34-32-39)65-66-62/h31-34,41-43,46-59,67,70-77H,3-30,35-38,61H2,1-2H3,(H,78,79)(H2,63,64,89)/t41-,42-,43-,46-,47-,48-,49+,50-,51-,52+,53-,54+,55-,56-,57-,58-,59-/m1/s1
InChI key：
BMWZFDFVHQHLID-KFKVWVIKSA-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(=S)Nc2ccc(cc2)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)：
- 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-[3-(4-アジドフェニル)チオウレイド]-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-アジドフェニル)カルバモチオイル]アミノ}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-azidophenyl)carbamothioyl]amino}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-[3-(4-azidophenyl)thioureido]-2,6-dideoxy-α-D-glucopyranosyl]-D-myo-inositol
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