**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

(Gal)1 (Glc)1 (GlcNAc)1 (Cer)1

Properties Image MNX_ID MNXM1104052 reference biggM:acglcgalgluside_hs formula C39H69N2O18* global charge 0 mol weight   InChIKey   InChI   SMILES [*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C40H72N2O18/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(48)24(41-22(2)46)21-55-39-34(53)33(52)36(28(20-45)58-39)59-40-35(54)37(31(50)27(19-44)57-40)60-38-29(42-23(3)47)32(51)30(49)26(18-43)56-38/h16-17,24-40,43-45,48-54H,4-15,18-21H2,1-3H3,(H,41,46)(H,42,47)/b17-16+/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36+,37-,38-,39+,40-/m0/s1/i2+1 SMILES (mnx) [CH3:1][13CH2:2][C@H:3]1[CH2:4][C@@H:5]([CH2:6][C@@H:7]2[C@@H:8]([CH3:9])[C@H:10]([CH2:11][C@@H:12]3[C@@H:13]([CH3:14])[C@H:15]([CH3:16])[C@@H:17]([CH2:18][CH2:19][C@H:20]([CH2:21][C:22]([CH3:23])=[CH2:24])[C@@H:25]([CH3:26])/[CH:27]=[CH:28]/[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][NH2:41])[NH:42][O:43]3[O:44][OH:45])[O:46][O@:47]([O:48][OH:49])[O@@:50]2[OH:51])[O@:52]([O:53][O:54](=[O:55])[OH:56])[O@:57]([OH:58])[O@:59]1[OH:60]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 6

Similar chemical compounds in external resources

Identifier	Description
bigg.metabolite:acglcgalgluside_hs biggM:acglcgalgluside_hs	(Gal)1 (Glc)1 (GlcNAc)1 (Cer)1
biggM:M_acglcgalgluside_hs	secondary/obsolete/fantasy identifier