Chemical Components in the PDB

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0XC : Summary

Code

0XC

One-letter code

X

Molecule name

(2E)-6-amino-2-iminohexanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2E)-6-amino-2-iminohexanoic acid
OpenEye OEToolkits 1.7.6 6-azanyl-2-azanylidene-hexanoic acid

Formula

C6 H12 N2 O2

Formal charge

0

Molecular weight

144.172 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h8H,1-4,7H2,(H,9,10)/b8-5+

IUPAC InChI key

ONJCPSHPCDMDIU-VMPITWQZSA-N
0XC

wwPDB Information

Atom count

22 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-09-11

Last modified at

2013-12-06

Status

Released

Obsoleted

Not Assigned