Chemical Components in the PDB

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TVY : Summary

Code

TVY

One-letter code

X

Molecule name

(1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S)-2-amino-1-phenylethyl alpha-D-mannopyranoside
OpenEye OEToolkits 2.0.7 (2~{S},3~{S},4~{S},5~{S},6~{R})-2-[(1~{S})-2-azanyl-1-phenyl-ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Formula

C14 H21 N O6

Formal charge

0

Molecular weight

299.32 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc(c1)C(OC2C(O)C(C(C(O2)CO)O)O)CN
SMILES CACTVS 3.385 NC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)c2ccccc2
SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)C(CN)OC2C(C(C(C(O2)CO)O)O)O
Canonical SMILES CACTVS 3.385 NC[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2ccccc2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc(cc1)[C@@H](CN)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

IUPAC InChI

InChI=1S/C14H21NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,6-7,15H2/t9-,10-,11-,12+,13+,14+/m1/s1

IUPAC InChI key

TUDGLRPNTITXOM-TVQXOTEMSA-N
TVY

wwPDB Information

Atom count

42 (21 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

MAN

Defined at

2020-04-01

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned