Chemical Components in the PDB

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MN1 : Summary

Code

MN1

One-letter code

X

Molecule name

4-CARBOXYPIPERIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 piperidine-4-carboxylic acid
OpenEye OEToolkits 1.5.0 piperidine-4-carboxylic acid

Formula

C6 H11 N O2

Formal charge

0

Molecular weight

129.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1CCNCC1
SMILES CACTVS 3.341 OC(=O)C1CCNCC1
SMILES OpenEye OEToolkits 1.5.0 C1CNCCC1C(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)C1CCNCC1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CNCCC1C(=O)O

IUPAC InChI

InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)

IUPAC InChI key

SRJOCJYGOFTFLH-UHFFFAOYSA-N
MN1

wwPDB Information

Atom count

20 (9 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

2024-09-27

Status

Released

Obsoleted

Not Assigned