Chemical Components in the PDB

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0D8 : Summary

Code

0D8

One-letter code

X

Molecule name

3-aminopropan-1-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 3-aminopropan-1-ol
OpenEye OEToolkits 1.7.6 3-azanylpropan-1-ol

Formula

C3 H9 N O

Formal charge

0

Molecular weight

75.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCCCN
SMILES CACTVS 3.370 NCCCO
SMILES OpenEye OEToolkits 1.7.6 C(CN)CO
Canonical SMILES CACTVS 3.370 NCCCO
Canonical SMILES OpenEye OEToolkits 1.7.6 C(CN)CO

IUPAC InChI

InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2

IUPAC InChI key

WUGQZFFCHPXWKQ-UHFFFAOYSA-N

Is part of

0EZ , PI6
0D8

wwPDB Information

Atom count

14 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-12-10

Last modified at

2012-07-19

Status

Released

Obsoleted

Not Assigned