Chem
J-GLOBAL ID：200907086205214919   Nikkaji number：J1.052.674D

N-(16-Mercaptohexadecanoyl)-1-O-(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)sphingosine

N-(16-メルカプトヘキサデカノイル)-1-O-(4-O-α-D-ガラクトピラノシル-β-D-ガラクトピラノシル)スフィンゴシン
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： C46H87NO13S
Molecular formula furigana： C46-H87-N-O13-S
Molecular weight： 894.260
InChI： InChI=1S/C46H87NO13S/c1-2-3-4-5-6-7-8-10-13-16-19-22-25-28-35(50)34(47-38(51)29-26-23-20-17-14-11-9-12-15-18-21-24-27-30-61)33-57-45-43(56)41(54)44(37(32-49)59-45)60-46-42(55)40(53)39(52)36(31-48)58-46/h25,28,34-37,39-46,48-50,52-56,61H,2-24,26-27,29-33H2,1H3,(H,47,51)/b28-25+/t34-,35+,36+,37+,39-,40-,41+,42+,43+,44-,45+,46+/m0/s1
InChI key： OCDROXWIEOCMCN-VCHRIGSBSA-N
SMILES： CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCS
Systematic name  (3)：
  • N-(16-メルカプトヘキサデカノイル)-1-O-(4-O-α-D-ガラクトピラノシル-β-D-ガラクトピラノシル)スフィンゴシン
  • N-[(2S,3R,4E)-1-{[(2R,3R,4R,5R,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-3-ヒドロキシオクタデカ-4-エン-2-イル]-16-スルファニルヘキサデカンアミド
  • N-[(2S,3R,4E)-1-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]-16-sulfanylhexadecanamide
Other name (1)：
  • N-(16-Mercaptohexadecanoyl)-1-O-(4-O-α-D-galactopyranosyl-β-D-galactopyranosyl)sphingosine
Thsaurus map：
Thesaurus Map

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