Chemical Components in the PDB

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CPI : Summary

Code

CPI

One-letter code

X

Molecule name

6-CARBOXYPIPERIDINE

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-piperidine-2-carboxylic acid
OpenEye OEToolkits 1.7.0 (2R)-piperidine-2-carboxylic acid

Formula

C6 H11 N O2

Formal charge

0

Molecular weight

129.157 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1NCCCC1
SMILES CACTVS 3.370 OC(=O)[CH]1CCCCN1
SMILES OpenEye OEToolkits 1.7.0 C1CCNC(C1)C(=O)O
Canonical SMILES CACTVS 3.370 OC(=O)[C@H]1CCCCN1
Canonical SMILES OpenEye OEToolkits 1.7.0 C1CCN[C@H](C1)C(=O)O

IUPAC InChI

InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

IUPAC InChI key

HXEACLLIILLPRG-RXMQYKEDSA-N
CPI

wwPDB Information

Atom count

20 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned