Chem
J-GLOBAL ID：200907026674383877
Nikkaji number：J1.185.561J
1-O-(1-O,2-O-Dihexadecanoyl-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-[(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： C60H103N3[N-][N+]2O23[O-]P
Molecular formula furigana： C60-H103-N6-O24-P
Molecular weight： 1323.476
InChI：
InChI=1S/C60H103N6O24P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-44(68)83-36-39(85-45(69)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-84-91(81,82)90-57-53(76)51(74)50(73)52(75)56(57)89-59-46(61)48(71)55(88-60-54(77)49(72)47(70)43(35-67)87-60)42(86-59)34-63-58(78)40-33-38(64-65-62)31-32-41(40)66(79)80/h31-33,39,42-43,46-57,59-60,67,70-77H,3-30,34-37,61H2,1-2H3,(H,63,78)(H,81,82)/t39-,42-,43-,46-,47-,48-,49+,50-,51-,52+,53-,54+,55-,56-,57-,59-,60-/m1/s1
InChI key：
XDALCMCNMJQNIW-PHZUZJMESA-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)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)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-[(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(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-{[(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(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-[(2-nitro-5-azidobenzoyl)amino]-2,6-dideoxy-α-D-glucopyranosyl]-D-myo-inositol
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