Chem
J-GLOBAL ID：200907034556450970
Nikkaji number：J1.865.968I
[[(R)-3-(Hexadecanoyloxy)-2-[1-oxo-5,6-epoxy-7-[2-[(Z)-2-octenyl]-3-hydroxy-5-oxocyclopentylidene]heptane-1-yl]propoxy](oxylato)phosphinyl]choline
[[(R)-3-(ヘキサデカノイルオキシ)-2-[1-オキソ-5,6-エポキシ-7-[2-[(Z)-2-オクテニル]-3-ヒドロキシ-5-オキソシクロペンチリデン]ヘプタン-1-イル]プロポキシ](オキシラト)ホスフィニル]コリン
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
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
Molecular formula： C44H78[N+]O9[O-]P
Molecular formula furigana： C44-H78-N-O10-P
Molecular weight： 812.079
InChI：
InChI=1S/C44H78NO10P/c1-6-8-10-12-14-15-16-17-18-19-20-22-24-29-44(49)52-34-36(35-54-56(50,51)53-31-30-45(3,4)5)39(46)27-25-28-42-43(55-42)32-38-37(40(47)33-41(38)48)26-23-21-13-11-9-7-2/h21,23,32,36-37,40,42-43,47H,6-20,22,24-31,33-35H2,1-5H3/b23-21-,38-32?/t36-,37?,40?,42?,43?/m1/s1
InChI key：
CJCDZQBJSFIFSR-WXKDGDQGSA-N
SMILES：
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)C(=O)CCCC1OC1C=C1C(C/C=C\CCCCC)C(O)CC1=O
Systematic name (3)：
- [[(R)-3-(ヘキサデカノイルオキシ)-2-[1-オキソ-5,6-エポキシ-7-[2-[(Z)-2-オクテニル]-3-ヒドロキシ-5-オキソシクロペンチリデン]ヘプタン-1-イル]プロポキシ](オキシラト)ホスフィニル]コリン
- (2-{[(2R)-2-[(ヘキサデカノイルオキシ)メチル]-6-[3-({3-ヒドロキシ-2-[(2Z)-オクタ-2-エン-1-イル]-5-オキソシクロペンチリデン}メチル)オキシラン-2-イル]-3-オキソヘキシル ホスホナト]オキシ}エチル)トリメチルアザニウム
- (2-{[(2R)-2-[(hexadecanoyloxy)methyl]-6-[3-({3-hydroxy-2-[(2Z)-oct-2-en-1-yl]-5-oxocyclopentylidene}methyl)oxiran-2-yl]-3-oxohexyl phosphonato]oxy}ethyl)trimethylazanium
- [[(R)-3-(Hexadecanoyloxy)-2-[1-oxo-5,6-epoxy-7-[2-[(Z)-2-octenyl]-3-hydroxy-5-oxocyclopentylidene]heptane-1-yl]propoxy](oxylato)phosphinyl]choline
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