Chem
J-GLOBAL ID：200907092201256757   Nikkaji number：J1.001.715G

D-myo-Inositol 1-[phosphoric acid (S)-2,3-bis(palmitoyloxy)propyl]3,4,5-trisphosphoric acid

D-myo-イノシトール1-[りん酸(S)-2,3-ビス(パルミトイルオキシ)プロピル]3,4,5-トリスりん酸
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： C41H82O22P4
Molecular formula furigana： C41-H82-O22-P4
Molecular weight： 1050.980
InChI： InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/t33-,36-,37-,38-,39+,40-,41?/m0/s1
InChI key： ZSZXYWFCIKKZBT-KJZYSGDFSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)C(OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3)：
  • D-myo-イノシトール1-[りん酸(S)-2,3-ビス(パルミトイルオキシ)プロピル]3,4,5-トリスりん酸
  • {[(1S,2S,3S,4S,5R)-3-({[(2S)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ](ヒドロキシ)ホスホリル}オキシ)-2,4-ジヒドロキシ-5,6-ビス(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1S,2S,3S,4S,5R)-3-({[(2S)-2,3-bis(hexadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4-dihydroxy-5,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • D-myo-Inositol 1-[phosphoric acid (S)-2,3-bis(palmitoyloxy)propyl]3,4,5-trisphosphoric acid
Thsaurus map：
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