Chemical Components in the PDB

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3OH : Summary

Code

3OH

One-letter code

X

Molecule name

3-HYDROXY-PROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-hydroxypropanoic acid
OpenEye OEToolkits 1.5.0 3-hydroxypropanoic acid

Formula

C3 H6 O3

Formal charge

0

Molecular weight

90.078 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCO
SMILES CACTVS 3.341 OCCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CO)C(=O)O
Canonical SMILES CACTVS 3.341 OCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CO)C(=O)O

IUPAC InChI

InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)

IUPAC InChI key

ALRHLSYJTWAHJZ-UHFFFAOYSA-N
3OH

wwPDB Information

Atom count

12 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned