Chem
J-GLOBAL ID：200907002446905891   Nikkaji number：J1.940.465J

CerPI-1

1-O-[[2-(13-メチルテトラデカノイルアミノ)-3-ヒドロキシ-15-メチルヘキサデシルオキシ]ホスホニル]-D-myo-イノシトール
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： C38H76NO11P
Molecular formula furigana： C38-H76-N-O11-P
Molecular weight： 753.996
InChI： InChI=1S/C38H76NO11P/c1-28(2)23-19-15-11-7-5-9-13-17-21-25-31(40)30(39-32(41)26-22-18-14-10-6-8-12-16-20-24-29(3)4)27-49-51(47,48)50-38-36(45)34(43)33(42)35(44)37(38)46/h28-31,33-38,40,42-46H,5-27H2,1-4H3,(H,39,41)(H,47,48)/t30?,31?,33-,34-,35+,36-,37-,38?/m1/s1
InChI key： NNGXPQCSWRRMHE-OKBSIONOSA-N
SMILES： CC(C)CCCCCCCCCCCC(O)C(COP(=O)(O)OC1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCC(C)C
Systematic name  (4)：
  • 1-O-[[2-(13-メチルテトラデカノイルアミノ)-3-ヒドロキシ-15-メチルヘキサデシルオキシ]ホスホニル]-D-myo-イノシトール
  • 1-デオキシ-D-myo-イノシトール-1-イル2-[N-(13-メチルテトラデカノイル)アミノ]-3-ヒドロキシ-15-メチルヘキサデシル水素ホスファート
  • {[3-ヒドロキシ-15-メチル-2-(13-メチルテトラデカンアミド)ヘキサデシル]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
  • {[3-hydroxy-15-methyl-2-(13-methyltetradecanamido)hexadecyl]oxy}({[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
Other name (3)：
  • 1-O-[[2-(13-Methyltetradecanoylamino)-3-hydroxy-15-methylhexadecyloxy]phosphonyl]-D-myo-inositol
  • 1-Deoxy-D-myo-inositol-1-yl 2-[N-(13-methyltetradecanoyl)amino]-3-hydroxy-15-methylhexadecylhydrogen phosphate
  • CerPI-1
Thsaurus map：
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