Chemical Components in the PDB

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CR5 : Summary

Code

CR5

One-letter code

G

Molecule name

(2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium
OpenEye OEToolkits 1.5.0 2-[(2R)-2-(aminomethyl)-2,5-dihydroxy-4-oxo-3H-imidazol-1-ium-1-yl]ethanoic acid

Formula

C6 H10 N3 O5

Formal charge

1

Molecular weight

204.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN
SMILES CACTVS 3.341 NC[C]1(O)NC(=O)C(=[N+]1CC(O)=O)O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)[N+]1=C(C(=O)NC1(CN)O)O
Canonical SMILES CACTVS 3.341 NC[C@@]1(O)NC(=O)C(=[N+]1CC(O)=O)O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O

IUPAC InChI

InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1

IUPAC InChI key

IMYOMVNQPPPJHU-ZCFIWIBFSA-O
CR5

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLY

Defined at

2003-09-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned