Chemical Components in the PDB

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88B : Summary

Code

88B

One-letter code

X

Molecule name

4-diazanyl-4-oxidanylidene-butanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-diazanyl-4-oxidanylidene-butanoic acid

Formula

C4 H8 N2 O3

Formal charge

0

Molecular weight

132.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NNC(=O)CCC(O)=O
SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)O)C(=O)NN
Canonical SMILES CACTVS 3.385 NNC(=O)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CC(=O)O)C(=O)NN

IUPAC InChI

InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)

IUPAC InChI key

XRMBRQWBOICYRP-UHFFFAOYSA-N
88B

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-07-25

Last modified at

2020-08-21

Status

Released

Obsoleted

Not Assigned