Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

GVA : Summary

Code

GVA

One-letter code

X

Molecule name

5-{[AMINO(IMINO)METHYL]AMINO}PENTANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 5-carbamimidamidopentanoic acid
OpenEye OEToolkits 1.5.0 5-carbamimidamidopentanoic acid

Formula

C6 H13 N3 O2

Formal charge

0

Molecular weight

159.186 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCCCNC(=[N@H])N
SMILES CACTVS 3.341 NC(=N)NCCCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 [H]N=C(N)NCCCCC(=O)O
Canonical SMILES CACTVS 3.341 NC(=N)NCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(/N)\NCCCCC(=O)O

IUPAC InChI

InChI=1S/C6H13N3O2/c7-6(8)9-4-2-1-3-5(10)11/h1-4H2,(H,10,11)(H4,7,8,9)

IUPAC InChI key

UKUBCVAQGIZRHL-UHFFFAOYSA-N
GVA

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-10-12

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned