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

N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide

Properties Image MNX_ID MNXM1563886 reference vmhM:acglcgalgluside_hs vmhM:acglcgalgluside_hs formula C39H69N2O18* global charge 0 mol weight 853.977 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][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:25]([C@H:24]([CH2:21][O:55][C@H:39]1[C@H:34]([OH:53])[C@@H:33]([OH:52])[C@H:36]([O:59][C@H:40]2[C@H:35]([OH:54])[C@@H:37]([O:60][C@H:38]3[C@H:29]([NH:42][C:23]([CH3:3])=[O:47])[C@@H:32]([OH:51])[C@H:30]([OH:49])[C@@H:26]([CH2:18][OH:43])[O:56]3)[C@@H:31]([OH:50])[C@@H:27]([CH2:19][OH:44])[O:57]2)[C@@H:28]([CH2:20][OH:45])[O:58]1)[NH:41][C:22]([13CH3:2])=[O:46])[OH:48]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
vmhM:acglcgalgluside_hs vmhM:acglcgalgluside_hs vmhmetabolite:acglcgalgluside_hs vmhmetabolite:acglcgalgluside_hs	N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide
vmhM:M_acglcgalgluside_hs	secondary/obsolete/fantasy identifier