Chem
J-GLOBAL ID：200907071890956119   Nikkaji number：J845.446I

[O-[1-O-Palmitoyl-2-O-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-hexadecatetrenyl]-L-glycero-3-phospho]choline]anion

[O-[1-O-パルミトイル-2-O-[(5Z,8Z,11Z,14Z)-1-オキソ-5,8,11,14-ヘキサデカテトラエニル]-L-グリセロ-3-ホスホ]コリン]アニオン
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： C40H72[N+]O7[O-]P
Molecular formula furigana： C40-H72-N-O8-P
Molecular weight： 725.989
InChI： InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h7,9,13,15,19,21,25,27,38H,6,8,10-12,14,16-18,20,22-24,26,28-37H2,1-5H3/b9-7-,15-13-,21-19-,27-25-/t38-/m1/s1
InChI key： LHYJEWSWCVTREW-UFXMXONOSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C
Systematic name  (3)：
  • [O-[1-O-パルミトイル-2-O-[(5Z,8Z,11Z,14Z)-1-オキソ-5,8,11,14-ヘキサデカテトラエニル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • (2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ヘキサデカ-5,8,11,14-テトラエノイルオキシ]-3-(ヘキサデカノイルオキシ)プロピル ホスホナト]オキシ}エチル)トリメチルアザニウム
  • (2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-hexadeca-5,8,11,14-tetraenoyloxy]-3-(hexadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
Other name (1)：
  • [O-[1-O-Palmitoyl-2-O-[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-hexadecatetrenyl]-L-glycero-3-phospho]choline]anion
Thsaurus map：
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