Chemical Components in the PDB

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AZF : Summary

Code

AZF

One-letter code

X

Molecule name

AZAFAGOMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (3R,4R,5R)-3-(hydroxymethyl)hexahydropyridazine-4,5-diol
OpenEye OEToolkits 1.5.0 (3R,4R,5R)-3-(hydroxymethyl)-1,2-diazinane-4,5-diol

Formula

C5 H12 N2 O3

Formal charge

0

Molecular weight

148.16 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(NNCC1O)CO
SMILES CACTVS 3.341 OC[CH]1NNC[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(C(NN1)CO)O)O
Canonical SMILES CACTVS 3.341 OC[C@H]1NNC[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@@H]([C@H](NN1)CO)O)O

IUPAC InChI

InChI=1S/C5H12N2O3/c8-2-3-5(10)4(9)1-6-7-3/h3-10H,1-2H2/t3-,4-,5-/m1/s1

IUPAC InChI key

PPPMSBCQTLJPKM-UOWFLXDJSA-N
AZF

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned