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CHEBI:59241 - 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-ManpOMe

ChEBI IDCHEBI:59241
ChEBI Name4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-ManpOMe
Stars
ASCII Name4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-ManpOMe
DefinitionAn amido disaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa (PDB entry: 1F4Y).
Secondary ChEBI IDsCHEBI:43953, CHEBI:52951
Last Modified13 September 2019
SubmitterMarcus Ennis, Steve
DownloadsMolfile
FormulaC22H40N2O13
Net Charge0
Average Mass540.563
Monoisotopic Mass540.25304
SMILESCO[C@H]1O[C@H](C)[C@@H](NC(=O)[C@@H](O)CCO)[C@H](O)[C@@H]1O[C@H]1O[C@H](C)[C@@H](NC(=O)[C@@H](O)CCO)[C@H](O)[C@@H]1OC
InChIInChI=1S/C22H40N2O13/c1-9-14(24-20(32)12(28)6-8-26)16(30)18(21(34-4)35-9)37-22-17(33-3)15(29)13(10(2)36-22)23-19(31)11(27)5-7-25/h9-18,21-22,25-30H,5-8H2,1-4H3,(H,23,31)(H,24,32)/t9-,10-,11+,12+,13-,14-,15+,16+,17+,18+,21+,22-/m1/s1
InChIKeyVSIAYRYJKYLITD-JNHSWAMUSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-ManpOMe (CHEBI:59241) has functional parent α-D-mannose (CHEBI:28729)
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-ManpOMe (CHEBI:59241) has role epitope (CHEBI:53000)
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-ManpOMe (CHEBI:59241) is a amino disaccharide (CHEBI:22480)
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-Manp2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-ManpOMe (CHEBI:59241) is a methyl glycoside (CHEBI:25302)
IUPAC Name 
methyl 4,6-dideoxy-2-O-{4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-2-O-methyl-α-D-mannopyranosyl}-4-[(2S)-2,4-dihydroxybutanamido]-α-D-mannopyranoside
Synonyms  Source
2-O-[2-O-METHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-]-ALPHA-D-MANNOPYRANOSYL-[1-O-METHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY]-ALPHA-D-MANNOPYRANOSEPDBeChem
Vibrio Cholerae O1, serotype Ogawa disaccharideChEBI
4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranosyl-(1→2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-α-D-mannopyranoseChEBI
4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-α-D-Man2Me-(1→2)-4,6-dideoxy-4-(3-deoxy-D-glycero-tetronamido)-α-D-ManOMeChEBI
Manual XrefsDatabases
MGUPDBeChem
Registry NumbersSources
Reaxys:7504471Reaxys
Citations