Chem
J-GLOBAL ID:200907024271022715   Nikkaji number:J2.154.025K

[O-[1-O-Palmitoyl-2-O-[(9Z,11E)-13-(hydroperoxy)-9,11-octadecadienyl]-L-glycero-3-phospho]choline]anion

[O-[1-O-パルミトイル-2-O-[(9Z,11E)-13-(ヒドロペルオキシ)-9,11-オクタデカジエニル]-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: C42H82[N+]O8[O-]P
Molecular formula furigana: C42-H82-N-O9-P
Molecular weight: 776.090
InChI: InChI=1S/C42H82NO9P/c1-6-8-10-11-12-13-14-15-16-20-23-26-30-34-42(44)49-38-41(39-51-53(46,47)50-37-35-43(3,4)5)48-36-31-27-24-21-18-17-19-22-25-29-33-40(52-45)32-28-9-7-2/h22,25,29,33,40-41H,6-21,23-24,26-28,30-32,34-39H2,1-5H3,(H-,45,46,47)/b25-22-,33-29+/t40?,41-/m1/s1
InChI key: GSJMVAVPVKBKFY-BCCFBUGVSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCC/C=C\C=C\C(CCCCC)OO
Systematic name  (3):
  • [O-[1-O-パルミトイル-2-O-[(9Z,11E)-13-(ヒドロペルオキシ)-9,11-オクタデカジエニル]-L-グリセロ-3-ホスホ]コリン]アニオン
  • (2-{[(2R)-3-(ヘキサデカノイルオキシ)-2-{[(9Z,11E)-13-ヒドロペルオキシオクタデカ-9,11-ジエン-1-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)-3-(hexadecanoyloxy)-2-{[(9Z,11E)-13-hydroperoxyoctadeca-9,11-dien-1-yl]oxy}propyl phosphonato]oxy}ethyl)trimethylazanium
Other name (1):
  • [O-[1-O-Palmitoyl-2-O-[(9Z,11E)-13-(hydroperoxy)-9,11-octadecadienyl]-L-glycero-3-phospho]choline]anion
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