Chemical Components in the PDB

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MHV : Summary

Code

MHV

One-letter code

X

Molecule name

4-OXO-L-PIPECOLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-4-oxopiperidine-2-carboxylic acid
OpenEye OEToolkits 1.6.1 (2S)-4-oxopiperidine-2-carboxylic acid

Formula

C6 H9 N O3

Formal charge

0

Molecular weight

143.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1NCCC(=O)C1
SMILES CACTVS 3.352 OC(=O)[CH]1CC(=O)CCN1
SMILES OpenEye OEToolkits 1.6.1 C1CNC(CC1=O)C(=O)O
Canonical SMILES CACTVS 3.352 OC(=O)[C@@H]1CC(=O)CCN1
Canonical SMILES OpenEye OEToolkits 1.6.1 C1CN[C@@H](CC1=O)C(=O)O

IUPAC InChI

InChI=1S/C6H9NO3/c8-4-1-2-7-5(3-4)6(9)10/h5,7H,1-3H2,(H,9,10)/t5-/m0/s1

IUPAC InChI key

UAISREBYDOFHJY-YFKPBYRVSA-N
MHV

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2010-07-15

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned