Chem
J-GLOBAL ID:200907060639107925   Nikkaji number:J1.828.598C

[O-[1-O-Stearoyl-2-O-(5-oxopentanoyl)-L-glycero-3-phospho]choline]anion

[O-[1-O-ステアロイル-2-O-(5-オキソペンタノイル)-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: C31H60[N+]O8[O-]P
Molecular formula furigana: C31-H60-N-O9-P
Molecular weight: 621.793
InChI: InChI=1S/C31H60NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30(34)38-27-29(41-31(35)23-20-21-25-33)28-40-42(36,37)39-26-24-32(2,3)4/h25,29H,5-24,26-28H2,1-4H3/t29-/m1/s1
InChI key: XNMCIROVHWLKNA-GDLZYMKVSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC=O
Systematic name  (3):
  • [O-[1-O-ステアロイル-2-O-(5-オキソペンタノイル)-L-グリセロ-3-ホスホ]コリン]アニオン
  • トリメチル(2-{[(2R)-3-(オクタデカノイルオキシ)-2-[(5-オキソペンタノイル)オキシ]プロピル ホスホナト]オキシ}エチル)アザニウム
  • trimethyl(2-{[(2R)-3-(octadecanoyloxy)-2-[(5-oxopentanoyl)oxy]propyl phosphonato]oxy}ethyl)azanium
Other name (1):
  • [O-[1-O-Stearoyl-2-O-(5-oxopentanoyl)-L-glycero-3-phospho]choline]anion
Thsaurus map:

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