Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

2XP : Summary

Code

2XP

One-letter code

X

Molecule name

(2Z,4Z)-2-imino-6-oxohex-4-enoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2Z,4Z)-2-imino-6-oxohex-4-enoic acid
OpenEye OEToolkits 1.7.6 (Z)-2-azanylidene-6-oxidanylidene-hex-4-enoic acid

Formula

C6 H7 N O3

Formal charge

0

Molecular weight

141.125 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-2,4,7H,3H2,(H,9,10)/b2-1-,7-5-

IUPAC InChI key

IZBQCPKKCVTOTK-PQZOIKATSA-N
2XP

wwPDB Information

Atom count

17 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-05-23

Last modified at

2013-01-11

Status

Released

Obsoleted

Not Assigned