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

an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl derivative

Properties Image MNX_ID MNXM736253 reference chebi:140309 formula C28H43N2O22* global charge -2 mol weight   InChIKey   InChI   SMILES [*]O[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](CO)O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)O2)[C@H]1O MNX internals InChI (mnx) InChI=1/C29H48N2O22/c1-9(35)30-16-11(37)4-28(26(44)45,51-22(16)18(40)13(39)6-32)50-15(8-34)20(42)23-17(31-10(2)36)12(38)5-29(52-23,27(46)47)53-24-19(41)14(7-33)49-25(48-3)21(24)43/h11-25,32-34,37-43H,4-8H2,1-3H3,(H,30,35)(H,31,36)(H,44,45)(H,46,47)/t11-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+,28+,29-/m0/s1/i3+1 SMILES (mnx) [CH2:1]([CH:18]1[C@@H:14]([NH2:30])[C@H:8]([CH2:4][C@@:2]2([C:6]([CH3:10])=[CH2:11])[13CH2:3][C@@H:7]([C@H:21]([C@H:22]([CH2:23][O:33]3([O:50](=[O:51])[OH:52])[O:34][O@:36]([O:40]([O:41]([O:42][OH:43])[OH:45])[OH:44])[O@:38]([O:46][O:47]([OH:48])=[O:49])[O@:37]([OH:39])[O:35]3)[CH2:25][OH:32])[CH3:24])[C@@H:12]([CH2:26][C:27]([CH3:28])=[CH2:29])[C@H:9]([CH3:15])[CH2:5]2)[C@@H:13]([CH3:17])[C@@H:16]([CH2:20][NH2:31])[CH2:19]1)[OH:53]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1

Similar chemical compounds in external resources

Identifier	Description
CHEBI:140309 chebi:140309	an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl derivative alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(2-) alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-OR(2-)
seed.compound:cpd02972 seedM:cpd02972	alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D- galactosyl-R alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R alpha-N-acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-R an N-acetyl-alpha-neuraminyl-2,8-N-acetyl-alpha-neuraminyl-2,3-beta-D-galactosyl-R
kegg.compound:C04887 keggC:C04887	alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-R
metacyc.compound:ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA metacycM:ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA	an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-R an N-acetyl-alpha-neuraminyl-2,8-N-acetyl-alpha-neuraminyl-2,3-beta-D-galactosyl-R
keggC:M_C04887 seedM:M_cpd02972	secondary/obsolete/fantasy identifier