Chem
J-GLOBAL ID：200907060972821104   Nikkaji number：J1.089.127B

D-myo-Inositol 1-[phosphoric acid (2S,3R,4E)-2-(tetracosanoylamino)-3-hydroxy-4-hexadecenyl] ester

D-myo-イノシトール1-[りん酸(2S,3R,4E)-2-(テトラコサノイルアミノ)-3-ヒドロキシ-4-ヘキサデセニル]
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： C46H90NO11P
Molecular formula furigana： C46-H90-N-O11-P
Molecular weight： 864.196
InChI： InChI=1S/C46H90NO11P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(49)47-38(39(48)35-33-31-29-27-25-14-12-10-8-6-4-2)37-57-59(55,56)58-46-44(53)42(51)41(50)43(52)45(46)54/h33,35,38-39,41-46,48,50-54H,3-32,34,36-37H2,1-2H3,(H,47,49)(H,55,56)/b35-33+/t38-,39+,41-,42-,43+,44+,45+,46?/m0/s1
InChI key： BPNIMLDQBLVCSB-ZWECPJKXSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OC1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCC
Systematic name  (3)：
  • D-myo-イノシトール1-[りん酸(2S,3R,4E)-2-(テトラコサノイルアミノ)-3-ヒドロキシ-4-ヘキサデセニル]
  • {[(2S,3R,4E)-3-ヒドロキシ-2-テトラコサンアミドヘキサデカ-4-エン-1-イル]オキシ}({[(2R,3R,4S,5S,6R)-2,3,4,5,6-ペンタヒドロキシシクロヘキシル]オキシ})ホスフィン酸
  • {[(2S,3R,4E)-3-hydroxy-2-tetracosanamidohexadec-4-en-1-yl]oxy}({[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
Other name (1)：
  • D-myo-Inositol 1-[phosphoric acid (2S,3R,4E)-2-(tetracosanoylamino)-3-hydroxy-4-hexadecenyl] ester
Thsaurus map：
Thesaurus Map

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