Chemical Components in the PDB

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G8M : Summary

Code

G8M

One-letter code

E

Molecule name

(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid
OpenEye OEToolkits 1.7.6 (1S,2R)-2-[(1S)-1-azanyl-2-oxidanyl-2-oxidanylidene-ethyl]cyclobutane-1-carboxylic acid

Formula

C7 H11 N O4

Formal charge

0

Molecular weight

173.167 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)C1CCC1C(=O)O
SMILES CACTVS 3.370 N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C1CC(C1C(C(=O)O)N)C(=O)O
Canonical SMILES CACTVS 3.370 N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O

IUPAC InChI

InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1

IUPAC InChI key

SRAFHGOPGVYULO-WISUUJSJSA-N
G8M

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLU

Defined at

2012-07-30

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned