Chem
J-GLOBAL ID：200907003607532701   Nikkaji number：J1.405.995D

1-O-[1-O-Palmitoyl-2-O-[6-(7-nitrobenzofurazane-4-ylamino)hexanoyl]-L-glycero-3-phospho]-D-myo-inositol 5-phosphoric acid

1-O-[1-O-パルミトイル-2-O-[6-(7-ニトロベンゾフラザン-4-イルアミノ)ヘキサノイル]-L-グリセロ-3-ホスホ]-D-myo-イノシトール5-りん酸
Substance type：
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
Molecular formula： C37H62N3[N+]O18[O-]P2
Molecular formula furigana： C37-H62-N4-O19-P2
Molecular weight： 928.860
InChI： InChI=1S/C37H62N4O19P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-28(42)55-23-25(24-56-62(53,54)59-37-34(46)32(44)33(45)36(35(37)47)58-61(50,51)52)57-29(43)19-16-14-17-22-38-26-20-21-27(41(48)49)31-30(26)39-60-40-31/h20-21,25,32-38,44-47H,2-19,22-24H2,1H3,(H,53,54)(H2,50,51,52)/t25-,32+,33-,34-,35+,36+,37-/m1/s1
InChI key： BJZBIBJRMLOJKU-OZLCFBITSA-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](OP(=O)(O)O)[C@@H]1O)OC(=O)CCCCCNc1ccc([N+](=O)[O-])c2nonc12
Systematic name  (3)：
  • 1-O-[1-O-パルミトイル-2-O-[6-(7-ニトロベンゾフラザン-4-イルアミノ)ヘキサノイル]-L-グリセロ-3-ホスホ]-D-myo-イノシトール5-りん酸
  • {[(1S,2S,3R,4R,5S,6R)-3-({[(2R)-3-(ヘキサデカノイルオキシ)-2-({6-[(7-ニトロ-2,1,3-ベンゾオキサジアゾール-4-イル)アミノ]ヘキサノイル}オキシ)プロポキシ](ヒドロキシ)ホスホリル}オキシ)-2,4,5,6-テトラヒドロキシシクロヘキシル]オキシ}ホスホン酸
  • {[(1S,2S,3R,4R,5S,6R)-3-({[(2R)-3-(hexadecanoyloxy)-2-({6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoyl}oxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid
Other name (1)：
  • 1-O-[1-O-Palmitoyl-2-O-[6-(7-nitrobenzofurazane-4-ylamino)hexanoyl]-L-glycero-3-phospho]-D-myo-inositol 5-phosphoric acid
Thsaurus map：
Thesaurus Map

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