Chemical Components in the PDB

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0JU : Summary

Code

0JU

One-letter code

X

Molecule name

(4S,5Z)-4-amino-5-iminopentanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S,5Z)-4-amino-5-iminopentanamide
OpenEye OEToolkits 1.7.6 (4S)-4-azanyl-5-azanylidene-pentanamide

Formula

C5 H11 N3 O

Formal charge

0

Molecular weight

129.16 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)CCC(C=[N@H])N
SMILES CACTVS 3.370 N[CH](CCC(N)=O)C=N
SMILES OpenEye OEToolkits 1.7.6 C(CC(=O)N)C(C=N)N
Canonical SMILES CACTVS 3.370 N[C@@H](CCC(N)=O)C=N
Canonical SMILES OpenEye OEToolkits 1.7.6 [H]/N=C\[C@H](CCC(=O)N)N

IUPAC InChI

InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1

IUPAC InChI key

IBIWXPIHBJDWKY-XVZWPQLSSA-N
0JU

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-01-27

Last modified at

2012-12-07

Status

Released

Obsoleted

Not Assigned