Chem
J-GLOBAL ID：200907024221569900   Nikkaji number：J1.089.126D

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

D-myo-イノシトール1-[りん酸(2S,3R,4E)-2-(ドコサノイルアミノ)-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： C44H86NO11P
Molecular formula furigana： C44-H86-N-O11-P
Molecular weight： 836.142
InChI： InChI=1S/C44H86NO11P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-38(47)45-36(37(46)33-31-29-27-25-23-14-12-10-8-6-4-2)35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52/h31,33,36-37,39-44,46,48-52H,3-30,32,34-35H2,1-2H3,(H,45,47)(H,53,54)/b33-31+/t36-,37+,39-,40-,41+,42+,43+,44?/m0/s1
InChI key： MIRIOLOTYVONEH-CWOACLOISA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCC(=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-(ドコサノイルアミノ)-3-ヒドロキシ-4-ヘキサデセニル]
  • {[(2S,3R,4E)-2-ドコサンアミド-3-ヒドロキシヘキサデカ-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)-2-docosanamido-3-hydroxyhexadec-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-(docosanoylamino)-3-hydroxy-4-hexadecenyl] ester
Thsaurus map：
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