Ganglioside GA2 (d18:1/9Z-18:1)

More details:

• Systematic name

  (9Z)-N-[(2S,3R,4E)-1-{[2-Acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]-9-octadecenamide

• SMILES

  CC(=O)N[C@@H]3[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]3O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H](NC(=O)CCCCCCC/C=C\CCCCCCCC)[C@H](O)\C=C\CCCCCCCCCCCCC)[C@H](O)[C@H]2O

• Std. InChi

  InChI=1S/C56H102N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h18-19,30,32,39-43,45-56,59-61,63,65-70H,4-17,20-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b19-18-,32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1

• Std. InChIKey

  SUEZBAAUECMPJR-MQILXBOASA-N

• Cite this record

  CSID:13628423, http://www.chemspider.com/Chemical-Structure.13628423.html (accessed 14:43, May 10, 2024)