Chemical Components in the PDB

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ECC : Summary

Code

ECC

One-letter code

Q

Molecule name

(4S)-4-amino-5-hydroxypentanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S)-4-amino-5-hydroxypentanamide
OpenEye OEToolkits 1.7.2 (4S)-4-azanyl-5-oxidanyl-pentanamide

Formula

C5 H12 N2 O2

Formal charge

0

Molecular weight

132.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N)CCC(N)CO
SMILES CACTVS 3.370 N[CH](CO)CCC(N)=O
SMILES OpenEye OEToolkits 1.7.2 C(CC(=O)N)C(CO)N
Canonical SMILES CACTVS 3.370 N[C@H](CO)CCC(N)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C(CC(=O)N)[C@@H](CO)N

IUPAC InChI

InChI=1S/C5H12N2O2/c6-4(3-8)1-2-5(7)9/h4,8H,1-3,6H2,(H2,7,9)/t4-/m0/s1

IUPAC InChI key

FQLOSLKSJZSARD-BYPYZUCNSA-N
ECC

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

GLN

Defined at

2011-07-21

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned