a 1,2-diacyl-3-[3-(N-acetyl-alpha-D-neuraminyl)-beta-D-galactosyl]-sn-glycerol

Properties Image MNX_ID MNXM13986 reference metacycM:12-DIACYL-3-3-ETCETERA-GLYCEROL formula C22H32NO18*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O)OC([*])=O MNX internals InChI (mnx) InChI=1/C24H39NO18/c1-9(28)25-16-13(31)4-24(23(36)37,42-20(16)17(33)14(32)5-26)43-21-18(34)15(6-27)41-22(19(21)35)39-8-12(40-11(3)30)7-38-10(2)29/h12-22,26-27,31-35H,4-8H2,1-3H3,(H,25,28)(H,36,37)/t12-,13+,14-,15-,16-,17-,18+,19-,20-,21+,22-,24+/m1/s1/i2+1,3+1 SMILES (mnx) [CH3:1][C:9](=[N:25][C@@H:16]1[C@@H:13]([OH:31])[CH2:4][C@@:24]([C:23](=[O:36])[OH:37])([O:43][C@H:21]2[C@@H:18]([OH:34])[C@@H:15]([CH2:6][OH:27])[O:41][C@@H:22]([O:39][CH2:8][C@@H:12]([CH2:7][O:38][C:10]([13CH3:2])=[O:29])[O:40][C:11]([13CH3:3])=[O:30])[C@@H:19]2[OH:35])[O:42][C@H:20]1[C@@H:17]([C@@H:14]([CH2:5][OH:26])[OH:32])[OH:33])[OH:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0