Chemical Components in the PDB

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GGB : Summary

Code

GGB

One-letter code

X

Molecule name

L-CANAVANINE

Synonyms

L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 O-carbamimidamido-L-homoserine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-carbamimidamidooxy-butanoic acid

Formula

C5 H12 N4 O3

Formal charge

0

Molecular weight

176.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CCONC(=[N@H])N
SMILES CACTVS 3.341 N[CH](CCONC(N)=N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 [H]N=C(N)NOCCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCONC(N)=N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [H]/N=C(\N)/NOCC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1

IUPAC InChI key

FSBIGDSBMBYOPN-VKHMYHEASA-N

Is part of

4PK
GGB

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-27

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned