Chem
J-GLOBAL ID：200907001411727358
Nikkaji number：J646.568D
N-[(1S,2R,3Z)-1-[[(1-デオキシ-5-O-カルバ-β-D-グルコピラノース)-1-イルアミノ]メチル]-2-ヒドロキシ-3-ヘプタデセニル]ヘキサデカンアミド
N-[(1S,2R,3Z)-1-[[(1-デオキシ-5-O-カルバ-β-D-グルコピラノース)-1-イルアミノ]メチル]-2-ヒドロキシ-3-ヘプタデセニル]ヘキサデカンアミド
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： C41H80N2O6
Molecular formula furigana： C41-H80-N2-O6
Molecular weight： 697.099
InChI：
InChI=1S/C41H80N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(45)36(32-42-35-31-34(33-44)39(47)41(49)40(35)48)43-38(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,34-37,39-42,44-45,47-49H,3-26,28,30-33H2,1-2H3,(H,43,46)/b29-27-/t34-,35-,36+,37-,39-,40+,41+/m1/s1
InChI key：
DPZVIVYRSUKBCI-MGYMTAPKSA-N
SMILES：
CCCCCCCCCCCCCCCC(=O)N[C@@H](CN[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C\CCCCCCCCCCCCC
Systematic name (3)：
- N-[(1S,2R,3Z)-1-[[(1-デオキシ-5-O-カルバ-β-D-グルコピラノース)-1-イルアミノ]メチル]-2-ヒドロキシ-3-ヘプタデセニル]ヘキサデカンアミド
- N-[(2S,3R,4Z)-3-ヒドロキシ-1-{[(1R,2S,3S,4R,5R)-2,3,4-トリヒドロキシ-5-(ヒドロキシメチル)シクロヘキシル]アミノ}オクタデカ-4-エン-2-イル]ヘキサデカンアミド
- N-[(2S,3R,4Z)-3-hydroxy-1-{[(1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}octadec-4-en-2-yl]hexadecanamide
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