Chem
J-GLOBAL ID：200907094083788296   Nikkaji number：J1.766.323B

[5-(1,2-Dithiolane-3-yl)pentanoic acid 2-[(1-O,2-O-dipalmitoyl-L-glycero-3-phospho)oxy]ethyl] sodium salt

[5-(1,2-ジチオラン-3-イル)ペンタン酸2-[(1-O,2-O-ジパルミトイル-L-グリセロ-3-ホスホ)オキシ]エチル]ナトリウム
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： C45H84NaO10PS2
Molecular formula furigana： C45-H84-NA-O10-P-S2
Molecular weight： 903.240
InChI： InChI=1S/C45H85O10PS2.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-44(47)52-39-41(55-45(48)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-54-56(49,50)53-37-36-51-43(46)33-30-29-31-42-35-38-57-58-42;/h41-42H,3-40H2,1-2H3,(H,49,50);/q;+1/p-1/t41-,42?;/m1./s1
InChI key： ACHSACWJLWXPJO-ZUNYXUKESA-M
SMILES： CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[Na])OCCOC(=O)CCCCC1CCSS1)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3)：
  • [5-(1,2-ジチオラン-3-イル)ペンタン酸2-[(1-O,2-O-ジパルミトイル-L-グリセロ-3-ホスホ)オキシ]エチル]ナトリウム
  • (2R)-1-{[(2-{[5-(1,2-ジチオラン-3-イル)ペンタノイル]オキシ}エトキシ)(ソジオオキシ)ホスホリル]オキシ}-3-(ヘキサデカノイルオキシ)プロパン-2-イル ヘキサデカノアート
  • (2R)-1-{[(2-{[5-(1,2-dithiolan-3-yl)pentanoyl]oxy}ethoxy)(sodiooxy)phosphoryl]oxy}-3-(hexadecanoyloxy)propan-2-yl hexadecanoate
Other name (1)：
  • [5-(1,2-Dithiolane-3-yl)pentanoic acid 2-[(1-O,2-O-dipalmitoyl-L-glycero-3-phospho)oxy]ethyl] sodium salt
Thsaurus map：
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