牛乳糖神经酰胺
Lactosylceramides (bovine buttermilk)
CDH, MFCD00133445, Lactocerebrosides from bovine brain
CAS号: 4682-48-8
IUPAC名称: N-[(E)-1-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]octadecanamide
分子式: C53H101NO13
分子量: 960.36800
InChI: InChI=1S/C48H91NO13/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(53)49-36(37(52)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)35-59-47-45(58)43(56)46(39(34-51)61-47)62-48-44(57)42(55)41(54)38(33-50)60-48/h29,31,36-39,41-48,50-52,54-58H,3-28,30,32-35H2,1-2H3,(H,49,53)/b31-29+/t36?,37?,38-,39-,41+,42+,43-,44-,45-,46+,47-,48?/m1/s1
InChIKey: VOZHMDQUIRUFQW-AIRKALMMSA-N
SMILES: CCCCCCCCCCCCCCCCCC(=O)NC(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OC2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)C(/C=C/CCCCCCCCCCCCC)O
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