Chem
J-GLOBAL ID:200907045245782610   Nikkaji number:J2.089.441E

[O-[1-O-Palmitoyl-2-O-(6,7,9,10,12,13-hexahydroxystearoyl)-L-glycero-3-phospho]choline]anion

[O-[1-O-パルミトイル-2-O-(6,7,9,10,12,13-ヘキサヒドロキシステアロイル)-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: C42H84[N+]O13[O-]P
Molecular formula furigana: C42-H84-N-O14-P
Molecular weight: 858.101
InChI: InChI=1S/C42H84NO14P/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-26-41(50)54-32-34(33-56-58(52,53)55-29-28-43(3,4)5)57-42(51)27-23-22-25-36(45)38(47)31-40(49)39(48)30-37(46)35(44)24-20-9-7-2/h34-40,44-49H,6-33H2,1-5H3/t34-,35?,36?,37?,38?,39?,40?/m1/s1
InChI key: MTWNLBWKOGQUGE-SZWHYMJSSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC(O)C(O)CC(O)C(O)CC(O)C(O)CCCCC
Systematic name  (3):
  • [O-[1-O-パルミトイル-2-O-(6,7,9,10,12,13-ヘキサヒドロキシステアロイル)-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-[(6,7,9,10,12,13-ヘキサヒドロキシオクタデカノイル)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)-3-(hexadecanoyloxy)-2-[(6,7,9,10,12,13-hexahydroxyoctadecanoyl)oxy]propyl phosphonato]oxy}ethyl)trimethylazanium
Other name (1):
  • [O-[1-O-Palmitoyl-2-O-(6,7,9,10,12,13-hexahydroxystearoyl)-L-glycero-3-phospho]choline]anion
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