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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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 ID CHEBI:59241
ChEBI ASCII Name 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-ManpOMe
Definition An amido disaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa (PDB entry: 1F4Y).
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43953, CHEBI:52951
Supplier Information
Download Molfile XML SDF
Formula C22H40N2O13
Net Charge 0
Average Mass 540.559
Monoisotopic Mass 540.25304
InChI InChI=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
InChIKey VSIAYRYJKYLITD-JNHSWAMUSA-N
SMILES O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)O[C@H]2O[C@@H]([C@H]([C@@H]([C@@H]2OC)O)NC([C@H](CCO)O)=O)C)O)NC([C@H](CCO)O)=O)C
Roles Classification
Biological Role(s): 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.
(via 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-Manp2Me-(1->2)-4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-alpha-D-ManpOMe )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
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-MANNOPYRANOSE PDBeChem
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-ManOMe ChEBI
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-mannopyranose ChEBI
Vibrio Cholerae O1, serotype Ogawa disaccharide ChEBI
Manual Xref Database
MGU
Note: (2016-11-09) The PDBeChem entry for ligand MGU shows R configuration at C-2 of each of the two 2,4-dihydroxybutyramido substituents; this is at variance with the structure published in PMID:10880560 and PMID:8839176 which shows S configuration at these positions.
 PDBeChem
View more database links
Registry Number Type Source
7504471 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10880560 PubMed citation Europe PMC
16098493 PubMed citation Europe PMC
8839176 PubMed citation Europe PMC
Last Modified
13 September 2019