Chem
J-GLOBAL ID：200907014851169700   Nikkaji number：J1.272.956A

O-[1-O,2-O-Bis[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-D-glycero-3-phospho]choline

O-[1-O,2-O-ビス[(2E,7R,11R)-3,7,11,15-テトラメチル-2-ヘキサデセニル]-D-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： C48H97[N+]O6P
Molecular formula furigana： C48-H97-N-O6-P
Molecular weight： 815.278
InChI： InChI=1S/C48H96NO6P/c1-40(2)20-14-22-42(5)24-16-26-44(7)28-18-30-46(9)32-35-52-38-48(39-55-56(50,51)54-37-34-49(11,12)13)53-36-33-47(10)31-19-29-45(8)27-17-25-43(6)23-15-21-41(3)4/h32-33,40-45,48H,14-31,34-39H2,1-13H3/p+1/b46-32+,47-33+/t42-,43-,44-,45-,48+/m1/s1
InChI key： KYCNMSJZRALPPU-KPQYWDISSA-O
SMILES： CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(=C/COC[C@@H](COP(=O)(O)OCC[N+](C)(C)C)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)/C
Systematic name  (3)：
  • O-[1-O,2-O-ビス[(2E,7R,11R)-3,7,11,15-テトラメチル-2-ヘキサデセニル]-D-グリセロ-3-ホスホ]コリン
  • [(2S)-2,3-ビス({[(2E,7R,11R)-3,7,11,15-テトラメチルヘキサデカ-2-エン-1-イル]オキシ})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)-2,3-bis({[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy})propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (1)：
  • O-[1-O,2-O-Bis[(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl]-D-glycero-3-phospho]choline
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