Chemical Components in the PDB

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83O : Summary

Code

83O

One-letter code

X

Molecule name

(2S)-2-azanyl-3-(4H-1,2,4-triazol-3-yl)propanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S})-2-azanyl-3-(4~{H}-1,2,4-triazol-3-yl)propanoic acid

Formula

C5 H8 N4 O2

Formal charge

0

Molecular weight

156.143 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 N[CH](Cc1[nH]cnn1)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 c1[nH]c(nn1)CC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@@H](Cc1[nH]cnn1)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 c1[nH]c(nn1)C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H8N4O2/c6-3(5(10)11)1-4-7-2-8-9-4/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m0/s1

IUPAC InChI key

CAPORZWUTKSILW-VKHMYHEASA-N
83O

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-31

Last modified at

2018-03-29

Status

Released

Obsoleted

Not Assigned