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CHEBI:195330 - GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)Glc

Default Structure
ChEBI IDCHEBI:195330
ChEBI NameGlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)Glc
Stars
DefinitionIntermediate in milk oligosaccharide biosynthesis
SubmitterR. Stephan
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[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)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C28H48N2O21/c1-7(34)29-13-18(39)15(36)9(3-31)47-26(13)45-6-12-17(38)24(51-27-14(30-8(2)35)19(40)16(37)10(4-32)48-27)22(43)28(49-12)50-23-11(5-33)46-25(44)21(42)20(23)41/h9-28,31-33,36-44H,3-6H2,1-2H3,(H,29,34)(H,30,35)/t9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21-,22-,23-,24+,25?,26-,27+,28+/m1/s1
InChIKeyDUZPTOWPVJBIEP-NPCADYDGSA-N
ChEBI Ontology
Outgoing Relation(s)
GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-4)Glc (CHEBI:195330) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
G52050JCGlyTouCan