Chemical Components in the PDB

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ETA : Summary

Code

ETA

One-letter code

X

Molecule name

ETHANOLAMINE

Systematic names

ProgramVersionName
ACDLabs 12.01 2-aminoethanol
OpenEye OEToolkits 1.7.0 2-azanylethanol

Formula

C2 H7 N O

Formal charge

0

Molecular weight

61.083 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCCN
SMILES CACTVS 3.370 NCCO
SMILES OpenEye OEToolkits 1.7.0 C(CO)N
Canonical SMILES CACTVS 3.370 NCCO
Canonical SMILES OpenEye OEToolkits 1.7.0 C(CO)N

IUPAC InChI

InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2

IUPAC InChI key

HZAXFHJVJLSVMW-UHFFFAOYSA-N
ETA

wwPDB Information

Atom count

11 (4 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide COOH carboxy terminus

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned