Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

Explore the latest updates on our new PDBe-KB ligand pages, now with PDBeChem functionality and many more features.

CYY : Summary

Code

CYY

One-letter code

X

Molecule name

2-DEOXYSTREPTAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol
OpenEye OEToolkits 1.5.0 (1S,3R,4S,6R)-4,6-diaminocyclohexane-1,2,3-triol

Formula

C6 H14 N2 O3

Formal charge

0

Molecular weight

162.187 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(N)CC(N)C(O)C1O
SMILES CACTVS 3.341 N[CH]1C[CH](N)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(C(C1N)O)O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H]1C[C@H](N)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N

IUPAC InChI

InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5-,6-

IUPAC InChI key

DTFAJAKTSMLKAT-JDCCYXBGSA-N

Is part of

RPO , M5Z , ON0
CYY

wwPDB Information

Atom count

25 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned