(2S,3R,4Z)-3-Hydroxy-2-(tricosanoylamino)-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypro pyl]-3,5-dideoxy-β-L-threo-hex-2-ulopyranonosyl-(2->3)-[β-D-galactopyranosyl-(1->3)-2-deoxy-2-(2-oxopropyl)-β-D-galactopyranosyl-(1->4)]-β-D-galactopyranosyl-(1->4)-β-D-glucopyranoside

More details:

• Systematic name

  (2S,3R,4Z)-3-Hydroxy-2-(tricosanoylamino)-4-octadecen-1-yl 5-acetamido-6-[(1S,2R)-2-({5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypro pyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-deoxy-2-(2-oxopropyl)-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside

• SMILES

  [H][C@@](O)(CO)[C@@]([H])(O)C1O[C@@](C[C@]([H])(O)[C@@]1([H])NC(C)=O)(O[C@]([H])(CO)[C@@]([H])(O)C1O[C@@](C[C@]([H])(O)[C@@]1([H])NC(C)=O)(O[C@]1([H])[C@@]([H])(O)[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(O)C=CCCCCCCCCCCCCC)[C@]([H])(O)[C@@]2([H])O)O[C@]([H])(CO)[C@]1([H])O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]1([H])CC(C)=O)C(O)=O)C(O)=O CC(=O)C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)C(O2)[C@H](O)[C@@H](CO)O[C@@]2(C[C@H](O)[C@@H](NC(C)=O)C(O2)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@H](O)C=CCCCCCCCCCCCCC)[C@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C90H159N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-30-32-34-36-38-40-65(107)93-55(56(103)39-37-35-33-31-29-27-19-17-15-13-11-9-7-2)50-121-84-75(115)73(113)78(63(48-98)124-84)127-86-76(116)82(79(64(49-99)125-86)128-83-54(41-51(3)100)77(70(110)61(46-96)122-83)126-85-74(114)72(112)69(109)60(45-95)123-85)132-90(88(119)120)43-58(105)67(92-53(5)102)81(131-90)71(111)62(47-97)129-89(87(117)118)42-57(104)66(91-52(4)101)80(130-89)68(108)59(106)44-94/h37,39,54-64,66-86,94-99,103-106,108-116H,6-36,38,40-50H2,1-5H3,(H,91,101)(H,92,102)(H,93,107)(H,117,118)(H,119,120)/t54-,55+,56-,57+,58+,59-,60-,61-,62-,63-,64-,66-,67-,68-,69+,70+,71-,72+,73-,74-,75-,76-,77-,78-,79+,80?,81?,82-,83+,84-,85+,86+,89-,90+/m1/s1

• Std. InChIKey

  RESBXTKIRCMLMO-BJZDEBECSA-N

• Cite this record

  CSID:74854285, http://www.chemspider.com/Chemical-Structure.74854285.html (accessed 08:04, Apr 28, 2024)