CHEBI:43892 - methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranoside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranoside
ChEBI ID CHEBI:43892
ChEBI ASCII Name methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-alpha-D-mannopyranoside
Definition An N-acyl-hexosamine that is the methyl α-glycoside of the terminal moiety, and presumed antigenic determinant, of the O-specific polysaccharide of Vibrio cholerae O:1, serotype Ogawa.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:59239
Supplier Information
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Formula C12H23NO7
Net Charge 0
Average Mass 293.314
Monoisotopic Mass 293.14745
InChI InChI=1S/C12H23NO7/c1-6-8(13-11(17)7(15)4-5-14)9(16)10(18-2)12(19-3)20-6/h6-10,12,14-16H,4-5H2,1-3H3,(H,13,17)/t6-,7+,8-,9+,10+,12+/m1/s1
InChIKey NGGZJRAGGXAXNO-RPBIHCLYSA-N
SMILES O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)OC)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.
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ChEBI Ontology
Outgoing methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranoside (CHEBI:43892) has functional parent α-D-mannose (CHEBI:28729)
methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranoside (CHEBI:43892) has role epitope (CHEBI:53000)
methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranoside (CHEBI:43892) is a N-acyl-hexosamine (CHEBI:21656)
methyl 4,6-dideoxy-4-(3-deoxy-L-glycero-tetronamido)-2-O-methyl-α-D-mannopyranoside (CHEBI:43892) is a methyl mannoside (CHEBI:25254)
IUPAC Name
methyl 4,6-dideoxy-4-[(2S)-2,4-dihydroxybutanamido]-2-O-methyl-α-D-mannopyranoside
Synonyms Sources
1,2-di-O-methyl-4-[(2S)-2,4-dihydroxybutyramido]-4-deoxy-α-D-rhamnopyranoside ChEBI
1,2-O-DIMETHYL-4-[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-DIDEOXY-ALPHA-D-MANNOPYRANOSIDE PDBeChem
methyl 4,6-dideoxy-4-{[(2S)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-α-D-mannopyranoside ChEBI
Manual Xref Database
MGS
Note: (2016-11-09) The PDBeChem entry for ligand MGS shows R configuration at C-2 of the 2,4-dihydroxybutyramido substituent; this is at variance with the structure published in PMID:10880560 and PMID:7585718 which shows S configuration at this position.
PDBeChem
View more database links
Registry Number Type Source
7414126 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10880560 PubMed citation Europe PMC
7585718 PubMed citation Europe PMC
Last Modified
13 September 2019