Chem
J-GLOBAL ID：200907097896980495   Nikkaji number：J2.756.300G

1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine

1-ヘキサデシルチオ-1-デオキシ-2-ヘキサデシルホスホノ-sn-グリセロ-3-ホスホコリン
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： C40H86[N+]O7P2S
Molecular formula furigana： C40-H86-N-O7-P2-S
Molecular weight： 787.130
InChI： InChI=1S/C40H85NO7P2S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49(42,43)48-40(38-47-50(44,45)46-35-34-41(3,4)5)39-51-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3,(H-,42,43,44,45)/p+1/t40-/m0/s1
InChI key： QPCQVOLQSLKQHW-FAIXQHPJSA-O
SMILES： CCCCCCCCCCCCCCCCSC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OP(=O)(O)CCCCCCCCCCCCCCCC
Systematic name  (3)：
  • O-[[(S)-2-(ヘキサデシルホスホニルオキシ)-3-(ヘキサデシルチオ)プロピル]ホスホノ]コリン
  • [(2S)-2-{[ヘキサデシル(ヒドロキシ)ホスホリル]オキシ}-3-(ヘキサデシルスルファニル)プロポキシ][2-(トリメチルアザニウミル)エトキシ]ホスフィン酸
  • [(2S)-2-{[hexadecyl(hydroxy)phosphoryl]oxy}-3-(hexadecylsulfanyl)propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (3)：
  • O-[[(S)-2-(Hexadecylphosphonyloxy)-3-(hexadecylthio)propyl]phosphono]choline
  • 1-Hexadecylthio-1-deoxy-2-hexadecylphosphono-sn-glycero-3-phosphocholine
  • 1-ヘキサデシルチオ-1-デオキシ-2-ヘキサデシルホスホノ-sn-グリセロ-3-ホスホコリン
KEGG COMPOUND： C04862
Thsaurus map：
Thesaurus Map

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