Chemical Components in the PDB

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AMV : Summary

Code

AMV

One-letter code

X

Molecule name

methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside

Systematic names

ProgramVersionName
ACDLabs 10.04 methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside
OpenEye OEToolkits 1.5.0 (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-methoxy-oxan-4-yl]oxypropanoic acid

Formula

C12 H21 N O8

Formal charge

0

Molecular weight

307.297 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
SMILES CACTVS 3.341 CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C
Canonical SMILES CACTVS 3.341 CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1NC(C)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C

IUPAC InChI

InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1

IUPAC InChI key

UXEQYDNCHCKBIL-PKKPQKKZSA-N
AMV

wwPDB Information

Atom count

42 (21 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

NAG

Defined at

2006-10-25

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned