Chemical Components in the PDB

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UI5 : Summary

Code

UI5

One-letter code

X

Molecule name

(1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol

Formula

C6 H13 N O3

Formal charge

0

Molecular weight

147.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH]1C[CH](O)[CH](O)[CH]1CO
SMILES OpenEye OEToolkits 2.0.7 C1C(C(C(C1O)O)CO)N
Canonical SMILES CACTVS 3.385 N[C@@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
Canonical SMILES OpenEye OEToolkits 2.0.7 C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO)N

IUPAC InChI

InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6+/m1/s1

IUPAC InChI key

XJKPQBOZNVQXOP-ZXXMMSQZSA-N
UI5

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-09-05

Last modified at

2023-12-08

Status

Released

Obsoleted

Not Assigned