Chemical Components in the PDB

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MYO : Summary

Code

MYO

One-letter code

X

Molecule name

4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-azanyl-1~{H}-pyrazole-3,5-dicarboxylic acid

Formula

C5 H5 N3 O4

Formal charge

0

Molecular weight

171.111 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Nc1c([nH]nc1C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 c1(c([nH]nc1C(=O)O)C(=O)O)N
Canonical SMILES CACTVS 3.385 Nc1c([nH]nc1C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 c1(c([nH]nc1C(=O)O)C(=O)O)N

IUPAC InChI

InChI=1S/C5H5N3O4/c6-1-2(4(9)10)7-8-3(1)5(11)12/h6H2,(H,7,8)(H,9,10)(H,11,12)

IUPAC InChI key

IGUCGPRNZVGVNO-UHFFFAOYSA-N
MYO

wwPDB Information

Atom count

17 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-09

Last modified at

2023-09-23

Status

Released

Obsoleted

Not Assigned