Chem
J-GLOBAL ID：200907086425001541   Nikkaji number：J1.019.927A

(E)-1-O-(3-O-Sulfo-β-D-galactopyranosyl)-N-(1-oxooctadecyl)-4-sphingenine

(E)-1-O-(3-O-スルホ-β-D-ガラクトピラノシル)-N-(1-オキソオクタデシル)-4-スフィンゲニン
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： C42H81NO11S
Molecular formula furigana： C42-H81-N-O11-S
Molecular weight： 808.170
InChI： InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1
InChI key： GQQZXRPXBDJABR-BDZNYNMQSA-N
SMILES： CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Systematic name  (3)：
  • (E)-1-O-(3-O-スルホ-β-D-ガラクトピラノシル)-N-(1-オキソオクタデシル)-4-スフィンゲニン
  • [(2R,3R,4S,5S,6R)-3,5-ジヒドロキシ-2-{[(2S,3R,4E)-3-ヒドロキシ-2-オクタデカンアミドオクタデカ-4-エン-1-イル]オキシ}-6-(ヒドロキシメチル)オキサン-4-イル]オキシダンスルホン酸
  • [(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-{[(2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl]oxy}-6-(hydroxymethyl)oxan-4-yl]oxidanesulfonic acid
Other name (1)：
  • (E)-1-O-(3-O-Sulfo-β-D-galactopyranosyl)-N-(1-oxooctadecyl)-4-sphingenine
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM