Chemical Components in the PDB

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MJO : Summary

Code

MJO

One-letter code

X

Molecule name

N-(beta-L-Fucopyranosyl)-biphenyl-3-carboxamide

Synonyms

~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-3-phenyl-benzamide

Formula

C19 H21 N O5

Formal charge

0

Molecular weight

343.374 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH]1O[CH](NC(=O)c2cccc(c2)c3ccccc3)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 CC1C(C(C(C(O1)NC(=O)c2cccc(c2)c3ccccc3)O)O)O
Canonical SMILES CACTVS 3.385 C[C@@H]1O[C@H](NC(=O)c2cccc(c2)c3ccccc3)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2cccc(c2)c3ccccc3)O)O)O

IUPAC InChI

InChI=1S/C19H21NO5/c1-11-15(21)16(22)17(23)19(25-11)20-18(24)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11,15-17,19,21-23H,1H3,(H,20,24)/t11-,15+,16+,17-,19-/m0/s1

IUPAC InChI key

KFRIUGARMXQWFO-QFFBLRJASA-N
MJO

wwPDB Information

Atom count

46 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-07-27

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned