Chemical Components in the PDB

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GHG : Summary

Code

GHG

One-letter code

Q

Molecule name

(2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)
OpenEye OEToolkits 1.7.0 (2S,4S)-2,5-bis(azanyl)-4-hydroxy-5-oxo-pentanoic acid

Formula

C5 H10 N2 O4

Formal charge

0

Molecular weight

162.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)C(O)CC(C(=O)O)N
SMILES CACTVS 3.370 N[CH](C[CH](O)C(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C(C(=O)O)N)C(C(=O)N)O
Canonical SMILES CACTVS 3.370 N[C@@H](C[C@H](O)C(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O

IUPAC InChI

InChI=1S/C5H10N2O4/c6-2(5(10)11)1-3(8)4(7)9/h2-3,8H,1,6H2,(H2,7,9)(H,10,11)/t2-,3-/m0/s1

IUPAC InChI key

VTJRNXQBJNWLRA-HRFVKAFMSA-N
GHG

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLN

Defined at

2004-01-20

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned